1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride

C89H81Br4Cl2F10N5O8 — CID 159248865

IUPAC1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride
SMILESCC(=O)Cc1ccc(C2(O)CC2)c(F)c1.CC1(c2ccc(Br)cc2F)CC1.CC1(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2F)CC1.COC(=O)c1ccc(Br)cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.Nc1ccc(C2(O)CC2)c(F)c1.O=C(O)c1ccc(Br)cc1F.OC1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C23H20FN.C12H13FO2.C11H9ClF3N3.C10H10BrF.C9H8BrFO.C9H10FNO.C8H6BrFO2.C7H4BrFO2.ClH/c1-23(14-15-23)20-13-12-19(16-21(20)24)25-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-8(14)6-9-2-3-10(11(13)7-9)12(15)4-5-12;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-10(4-5-10)8-3-2-7(11)6-9(8)12;10-6-1-2-7(8(11)5-6)9(12)3-4-9;10-8-5-6(11)1-2-7(8)9(12)3-4-9;1-12-8(11)6-3-2-5(9)4-7(6)10;8-4-1-2-5(7(10)11)6(9)3-4;/h2-13,16H,14-15H2,1H3;2-3,7,15H,4-6H2,1H3;1-5H,6,16H2;2-3,6H,4-5H2,1H3;1-2,5,12H,3-4H2;1-2,5,12H,3-4,11H2;2-4H,1H3;1-3H,(H,10,11);1H
InChIKeyBEOWMCNIOYDYMR-UHFFFAOYSA-N
MW1929.16 g/mol
LogP23.67
Rot. Bonds14

About 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride

1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride (PubChem CID 159248865) has the molecular formula C89H81Br4Cl2F10N5O8 and a molecular weight of 1929.16 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride
PubChem CID159248865
Molecular FormulaC89H81Br4Cl2F10N5O8
Molecular Weight1929.16 g/mol
Exact Mass1923.20
IUPAC Name1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride
SMILESCC(=O)Cc1ccc(C2(O)CC2)c(F)c1.CC1(c2ccc(Br)cc2F)CC1.CC1(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2F)CC1.COC(=O)c1ccc(Br)cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.Nc1ccc(C2(O)CC2)c(F)c1.O=C(O)c1ccc(Br)cc1F.OC1(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C23H20FN.C12H13FO2.C11H9ClF3N3.C10H10BrF.C9H8BrFO.C9H10FNO.C8H6BrFO2.C7H4BrFO2.ClH/c1-23(14-15-23)20-13-12-19(16-21(20)24)25-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-8(14)6-9-2-3-10(11(13)7-9)12(15)4-5-12;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-10(4-5-10)8-3-2-7(11)6-9(8)12;10-6-1-2-7(8(11)5-6)9(12)3-4-9;10-8-5-6(11)1-2-7(8)9(12)3-4-9;1-12-8(11)6-3-2-5(9)4-7(6)10;8-4-1-2-5(7(10)11)6(9)3-4;/h2-13,16H,14-15H2,1H3;2-3,7,15H,4-6H2,1H3;1-5H,6,16H2;2-3,6H,4-5H2,1H3;1-2,5,12H,3-4H2;1-2,5,12H,3-4,11H2;2-4H,1H3;1-3H,(H,10,11);1H
InChIKeyBEOWMCNIOYDYMR-UHFFFAOYSA-N
XLogP23.67
TPSA223.58 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.16
LogP ≤ 523.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride?
The IUPAC name of 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride (CID 159248865) is 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride is CC(=O)Cc1ccc(C2(O)CC2)c(F)c1.CC1(c2ccc(Br)cc2F)CC1.CC1(c2ccc(N=C(c3ccccc3)c3ccccc3)cc2F)CC1.COC(=O)c1ccc(Br)cc1F.Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.Nc1ccc(C2(O)CC2)c(F)c1.O=C(O)c1ccc(Br)cc1F.OC1(c2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride?
The InChIKey is BEOWMCNIOYDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN.C12H13FO2.C11H9ClF3N3.C10H10BrF.C9H8BrFO.C9H10FNO.C8H6BrFO2.C7H4BrFO2.ClH/c1-23(14-15-23)20-13-12-19(16-21(20)24)25-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-8(14)6-9-2-3-10(11(13)7-9)12(15)4-5-12;12-7-2-1-3-8(4-7)18-9(6-16)5-10(17-18)11(13,14)15;1-10(4-5-10)8-3-2-7(11)6-9(8)12;10-6-1-2-7(8(11)5-6)9(12)3-4-9;10-8-5-6(11)1-2-7(8)9(12)3-4-9;1-12-8(11)6-3-2-5(9)4-7(6)10;8-4-1-2-5(7(10)11)6(9)3-4;/h2-13,16H,14-15H2,1H3;2-3,7,15H,4-6H2,1H3;1-5H,6,16H2;2-3,6H,4-5H2,1H3;1-2,5,12H,3-4H2;1-2,5,12H,3-4,11H2;2-4H,1H3;1-3H,(H,10,11);1H.
What are the key properties of 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride?
1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride has a molecular weight of 1929.16 g/mol, XLogP of 23.67, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)cyclopropan-1-ol;4-bromo-2-fluorobenzoic acid;4-bromo-2-fluoro-1-(1-methylcyclopropyl)benzene;1-(4-bromo-2-fluorophenyl)cyclopropan-1-ol;[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;1-[3-fluoro-4-(1-hydroxycyclopropyl)phenyl]propan-2-one;N-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-1,1-diphenylmethanimine;methyl 4-bromo-2-fluorobenzoate;hydrochloride is sourced from PubChem (CID 159248865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).