[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate

C162H244F24O48 — CID 162105988

IUPAC[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OC1(C)CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCCCC1.CC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1
InChIInChI=1S/C16H24F2O4.C15H22F2O4.C15H24F2O4.C14H20F2O4.2C14H22F2O4.C13H18F2O4.2C13H20F2O4.2C12H18F2O4.C11H16F2O4/c1-3-4-7-16(9-11-5-6-12(16)8-11)22-13(19)10-21-14(20)15(2,17)18;1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17;1-3-4-8-15(9-6-5-7-10-15)21-12(18)11-20-13(19)14(2,16)17;1-3-14(7-9-4-5-10(14)6-9)20-11(17)8-19-12(18)13(2,15)16;1-3-7-14(8-5-4-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-3-4-7-14(8-5-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-12(6-8-3-4-9(12)5-8)19-10(16)7-18-11(17)13(2,14)15;1-3-13(7-5-4-6-8-13)19-10(16)9-18-11(17)12(2,14)15;1-3-6-13(7-4-5-8-13)19-10(16)9-18-11(17)12(2,14)15;1-11(6-4-3-5-7-11)18-9(15)8-17-10(16)12(2,13)14;1-3-12(6-4-5-7-12)18-9(15)8-17-10(16)11(2,13)14;1-11(12,13)10(15)16-7-9(14)17-8-5-3-2-4-6-8/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-11H2,1-2H3;9-10H,3-8H2,1-2H3;2*3-10H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-9H2,1-2H3;2*3-8H2,1-2H3;8H,2-7H2,1H3
InChIKeyZFNAUWGOGICXCX-UHFFFAOYSA-N
MW3415.64 g/mol
LogP34.29
Rot. Bonds66

About [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate

[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate (PubChem CID 162105988) has the molecular formula C162H244F24O48 and a molecular weight of 3415.64 g/mol. Its IUPAC name is [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate
PubChem CID162105988
Molecular FormulaC162H244F24O48
Molecular Weight3415.64 g/mol
Exact Mass3413.63
IUPAC Name[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCC(=O)OC1(C)CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCCCC1.CC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1
InChIInChI=1S/C16H24F2O4.C15H22F2O4.C15H24F2O4.C14H20F2O4.2C14H22F2O4.C13H18F2O4.2C13H20F2O4.2C12H18F2O4.C11H16F2O4/c1-3-4-7-16(9-11-5-6-12(16)8-11)22-13(19)10-21-14(20)15(2,17)18;1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17;1-3-4-8-15(9-6-5-7-10-15)21-12(18)11-20-13(19)14(2,16)17;1-3-14(7-9-4-5-10(14)6-9)20-11(17)8-19-12(18)13(2,15)16;1-3-7-14(8-5-4-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-3-4-7-14(8-5-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-12(6-8-3-4-9(12)5-8)19-10(16)7-18-11(17)13(2,14)15;1-3-13(7-5-4-6-8-13)19-10(16)9-18-11(17)12(2,14)15;1-3-6-13(7-4-5-8-13)19-10(16)9-18-11(17)12(2,14)15;1-11(6-4-3-5-7-11)18-9(15)8-17-10(16)12(2,13)14;1-3-12(6-4-5-7-12)18-9(15)8-17-10(16)11(2,13)14;1-11(12,13)10(15)16-7-9(14)17-8-5-3-2-4-6-8/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-11H2,1-2H3;9-10H,3-8H2,1-2H3;2*3-10H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-9H2,1-2H3;2*3-8H2,1-2H3;8H,2-7H2,1H3
InChIKeyZFNAUWGOGICXCX-UHFFFAOYSA-N
XLogP34.29
TPSA631.20 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds66
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003415.64
LogP ≤ 534.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate?
The IUPAC name of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate (CID 162105988) is [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate.
What is the SMILES notation for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate?
The canonical SMILES for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate is CC(F)(F)C(=O)OCC(=O)OC1(C)CC2CCC1C2.CC(F)(F)C(=O)OCC(=O)OC1CCCCC1.CC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CC2CCC1C2.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCC1.CCCCC1(OC(=O)COC(=O)C(C)(F)F)CCCCC1.
What is the InChIKey of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate?
The InChIKey is ZFNAUWGOGICXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O4.C15H22F2O4.C15H24F2O4.C14H20F2O4.2C14H22F2O4.C13H18F2O4.2C13H20F2O4.2C12H18F2O4.C11H16F2O4/c1-3-4-7-16(9-11-5-6-12(16)8-11)22-13(19)10-21-14(20)15(2,17)18;1-3-6-15(8-10-4-5-11(15)7-10)21-12(18)9-20-13(19)14(2,16)17;1-3-4-8-15(9-6-5-7-10-15)21-12(18)11-20-13(19)14(2,16)17;1-3-14(7-9-4-5-10(14)6-9)20-11(17)8-19-12(18)13(2,15)16;1-3-7-14(8-5-4-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-3-4-7-14(8-5-6-9-14)20-11(17)10-19-12(18)13(2,15)16;1-12(6-8-3-4-9(12)5-8)19-10(16)7-18-11(17)13(2,14)15;1-3-13(7-5-4-6-8-13)19-10(16)9-18-11(17)12(2,14)15;1-3-6-13(7-4-5-8-13)19-10(16)9-18-11(17)12(2,14)15;1-11(6-4-3-5-7-11)18-9(15)8-17-10(16)12(2,13)14;1-3-12(6-4-5-7-12)18-9(15)8-17-10(16)11(2,13)14;1-11(12,13)10(15)16-7-9(14)17-8-5-3-2-4-6-8/h11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;3-11H2,1-2H3;9-10H,3-8H2,1-2H3;2*3-10H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-9H2,1-2H3;2*3-8H2,1-2H3;8H,2-7H2,1H3.
What are the key properties of [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate?
[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate has a molecular weight of 3415.64 g/mol, XLogP of 34.29, 66 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-butylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;(2-cyclohexyloxy-2-oxoethyl) 2,2-difluoropropanoate;[2-[(2-ethyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-[(2-methyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoropropanoate;[2-oxo-2-[(2-propyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclohexyl)oxyethyl] 2,2-difluoropropanoate;[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-difluoropropanoate is sourced from PubChem (CID 162105988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).