(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid

C16H12F2O2 — CID 129382428

IUPAC(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2O2/c17-12-5-1-10(2-6-12)16(9-14(16)15(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)/t14-/m1/s1
InChIKeyCKNBIAMYHKRYDD-CQSZACIVSA-N
MW274.27 g/mol
LogP3.36
Rot. Bonds3

About (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid

(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 129382428) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID129382428
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H12F2O2/c17-12-5-1-10(2-6-12)16(9-14(16)15(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)/t14-/m1/s1
InChIKeyCKNBIAMYHKRYDD-CQSZACIVSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 129362220
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1R)-2-ethyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 105461613
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 174934692
cis-(1R,3R)-3-(4-fluorophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 99996064
cis-(1R,2S)-2-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 94256560
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
2-(3-chloro-4-fluorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 62388315
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
CID 65017269
2-fluoro-2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 72755670
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid (CID 129382428) is (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CKNBIAMYHKRYDD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12F2O2/c17-12-5-1-10(2-6-12)16(9-14(16)15(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid?
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129382428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).