cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

C10H7ClF2O2 — CID 129322641

IUPACcis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)/t7-,8-/m1/s1
InChIKeyHKOSNDJFLFJRPX-HTQZYQBOSA-N
MW232.61 g/mol
LogP2.77
Rot. Bonds2

About cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid

cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (PubChem CID 129322641) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
PubChem CID129322641
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Namecis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)/t7-,8-/m1/s1
InChIKeyHKOSNDJFLFJRPX-HTQZYQBOSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 121209337
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
trans-(1R,3R)-2,2-dichloro-3-(4-fluoro-3-iodophenyl)cyclopropane-1-carboxylic acid
CID 140860488
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
2,2-dichloro-3-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]cyclopropane-1-carboxylic acid
CID 122615521
trans-(1S,3S)-3-(3-fluoro-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202838
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 122618346

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid (CID 129322641) is cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is O=C(O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(F)F.
What is the InChIKey of cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
The InChIKey is HKOSNDJFLFJRPX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-6-3-1-5(2-4-6)7-8(9(14)15)10(7,12)13/h1-4,7-8H,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid?
cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid has a molecular weight of 232.61 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 129322641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).