cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid

C10H8F2O2 — CID 95241079

IUPACcis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C10H8F2O2/c11-10(12)7(8(10)9(13)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)/t7-,8-/m1/s1
InChIKeyZJTJSILEHUGFMC-HTQZYQBOSA-N
MW198.17 g/mol
LogP2.12
Rot. Bonds2

About cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid

cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid (PubChem CID 95241079) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
PubChem CID95241079
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namecis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1[C@@H](c2ccccc2)C1(F)F
InChIInChI=1S/C10H8F2O2/c11-10(12)7(8(10)9(13)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)/t7-,8-/m1/s1
InChIKeyZJTJSILEHUGFMC-HTQZYQBOSA-N
XLogP2.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.12
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)-3-(4-chlorophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
CID 129322641
(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
CID 102108070
1-phenylspiro[2.4]heptane-2-carboxylic acid
CID 83486210
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
methyl (E)-3-[(1R)-2,2-difluoro-3-phenylcyclopropyl]prop-2-enoate
CID 134970714
[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
CID 129394187
potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
CID 155982284
trans-(1R,3R)-3-(3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 11481517
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
trans-(1S,2S)-4,4-difluoro-2-phenylcyclohexane-1-carboxylic acid
CID 155163175

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid (CID 95241079) is cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@H]1[C@@H](c2ccccc2)C1(F)F.
What is the InChIKey of cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid?
The InChIKey is ZJTJSILEHUGFMC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-10(12)7(8(10)9(13)14)6-4-2-1-3-5-6/h1-5,7-8H,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid?
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 95241079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).