2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

C200H265F15O44S — CID 162021663

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=COC.C=COC(C)C.C=COC12CC(C)CC(CCC(C)(O)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C14H24O2.C13H16O3.C12H16O3.C12H16O2.C11H12F6O.C11H12O4S.C11H14O3.C10H10F6O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H14O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-4-16-14-8-11(2)7-12(9-14)5-6-13(3,15)10-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-2-9-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4,11-12,15H,1,5-10H2,2-3H3;4-5,8-10,12H,1-3,6-7H2;2,8-10H,1,3-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;2,8H,1,3-7H2;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1,3H,2,4H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyYUVCPBMMSPSBFF-UHFFFAOYSA-N
MW3690.31 g/mol
LogP36.14
Rot. Bonds32

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol

2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 162021663) has the molecular formula C200H265F15O44S and a molecular weight of 3690.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID162021663
Molecular FormulaC200H265F15O44S
Molecular Weight3690.31 g/mol
Exact Mass3687.80
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESC1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=COC.C=COC(C)C.C=COC12CC(C)CC(CCC(C)(O)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C16H18O4.C15H16O5.C14H24O2.C13H16O3.C12H16O3.C12H16O2.C11H12F6O.C11H12O4S.C11H14O3.C10H10F6O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H14O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-4-16-14-8-11(2)7-12(9-14)5-6-13(3,15)10-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-2-9-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4,11-12,15H,1,5-10H2,2-3H3;4-5,8-10,12H,1-3,6-7H2;2,8-10H,1,3-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;2,8H,1,3-7H2;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1,3H,2,4H2;3H,1,4H2,2H3;3H,1H2,2H3
InChIKeyYUVCPBMMSPSBFF-UHFFFAOYSA-N
XLogP36.14
TPSA552.04 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds32
Heavy Atoms260
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003690.31
LogP ≤ 536.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol with MolForge

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What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 162021663) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is C1=CC2CC1CC21CCOC1.C1=COCC1.C1=COCCC1.C=C(C)C(=O)OC1C2CC3C(=O)OC1C3S2.C=COC.C=COC(C)C.C=COC12CC(C)CC(CCC(C)(O)C1)C2.C=COC1C2CC3C(=O)OC1C3C2.C=COC1C2CC3C(=O)OC1C3O2.C=COC1CC2CC1C1COC(=O)C21.C=COC1CC2CC1CC21COC(=O)C1.C=COC1CC2CCC1C2.C=COC1CCCCC1.C=COCC.O=C(OC1C2CC3C(=O)OC1C3C2)C1CC2C=CC1C2.O=C(OC1C2CC3C(=O)OC1C3O2)C1CC2C=CC1C2.O=C1CC(CC2CC3C=CC2C3)CO1.O=C1CCCC1OC(=O)C1CC2C=CC1C2.OC(C1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.OC1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is YUVCPBMMSPSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4.C15H16O5.C14H24O2.C13H16O3.C12H16O3.C12H16O2.C11H12F6O.C11H12O4S.C11H14O3.C10H10F6O.C10H12O3.C10H14O.C9H10O4.C9H14O.C8H9F3O.C8H14O.C5H8O.C5H10O.C4H6O.C4H8O.C3H6O/c17-15(10-4-7-1-2-8(10)3-7)19-13-9-5-11-12(6-9)16(18)20-14(11)13;16-14(8-4-6-1-2-7(8)3-6)19-12-10-5-9-11(18-10)13(12)20-15(9)17;1-4-16-14-8-11(2)7-12(9-14)5-6-13(3,15)10-14;14-11-2-1-3-12(11)16-13(15)10-7-8-4-5-9(10)6-8;1-2-14-10-4-9-3-8(10)5-12(9)6-11(13)15-7-12;13-12-6-9(7-14-12)5-11-4-8-1-2-10(11)3-8;12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6;1-4(2)10(12)14-7-6-3-5-9(16-6)8(7)15-11(5)13;1-2-13-9-4-6-3-7(9)8-5-14-11(12)10(6)8;11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5;1-2-12-8-5-3-6-7(4-5)10(11)13-9(6)8;1-2-9-5-8(1)6-10(9)3-4-11-7-10;1-2-11-7-5-3-4-6(12-5)8(7)13-9(4)10;1-2-10-9-6-7-3-4-8(9)5-7;9-8(10,11)7(12)4-5-1-2-6(7)3-5;1-2-9-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-4-6-5(2)3;1-2-4-5-3-1;1-3-5-4-2;1-3-4-2/h1-2,7-14H,3-6H2;1-2,6-13H,3-5H2;4,11-12,15H,1,5-10H2,2-3H3;4-5,8-10,12H,1-3,6-7H2;2,8-10H,1,3-7H2;1-2,8-11H,3-7H2;1-2,6-8,18H,3-5H2;5-9H,1,3H2,2H3;2,6-10H,1,3-5H2;1-2,5-7,17H,3-4H2;2,5-9H,1,3-4H2;1-2,8-9H,3-7H2;2,4-8H,1,3H2;2,7-9H,1,3-6H2;1-2,5-6,12H,3-4H2;2,8H,1,3-7H2;2,4H,1,3,5H2;4-5H,1H2,2-3H3;1,3H,2,4H2;3H,1,4H2,2H3;3H,1H2,2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 3690.31 g/mol, XLogP of 36.14, 32 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-(2-bicyclo[2.2.1]hept-5-enylmethyl)oxolan-2-one;2,3-dihydrofuran;3,4-dihydro-2H-pyran;2-ethenoxybicyclo[2.2.1]heptane;ethenoxycyclohexane;1-ethenoxy-3,8-dimethylbicyclo[4.3.1]decan-3-ol;2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one;ethenoxyethane;8-ethenoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one;2-ethenoxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one;2-ethenoxypropane;5-ethenoxyspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;methoxyethene;(2-oxocyclopentyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) bicyclo[2.2.1]hept-5-ene-2-carboxylate;spiro[bicyclo[2.2.1]hept-2-ene-5,3'-oxolane];2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 162021663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).