cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid

C10H8F2O2 — CID 51888162

IUPACcis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C10H8F2O2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8-/m0/s1
InChIKeyJBZJYHGCTGBDMR-XPUUQOCRSA-N
MW198.17 g/mol
LogP2.15
Rot. Bonds2

About cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 51888162) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID51888162
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namecis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1c1cc(F)ccc1F
InChIInChI=1S/C10H8F2O2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8-/m0/s1
InChIKeyJBZJYHGCTGBDMR-XPUUQOCRSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
trans-(1S,2S)-2-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 96658212
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113479
3-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119177424
3-[[(1S,2R)-2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704684
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid (CID 51888162) is cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1c1cc(F)ccc1F.
What is the InChIKey of cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JBZJYHGCTGBDMR-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51888162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).