1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

C10H8F2O2 — CID 131128796

IUPAC1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(F)CC1c1ccc(F)cc1
InChIInChI=1S/C10H8F2O2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyPXWCXHCAUGIPIJ-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.11
Rot. Bonds2

About 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid

1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 131128796) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID131128796
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(F)CC1c1ccc(F)cc1
InChIInChI=1S/C10H8F2O2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyPXWCXHCAUGIPIJ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
CID 65017269
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
cis-(1R,2R)-2-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 99989979
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
CID 103563450
(1S,6S)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 675391
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
1-(4-fluorophenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353547
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid (CID 131128796) is 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(F)CC1c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is PXWCXHCAUGIPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-7-3-1-6(2-4-7)8-5-10(8,12)9(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid?
1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 131128796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).