2-[1-(difluoromethyl)cyclopropyl]benzoic acid

C11H10F2O2 — CID 84723372

IUPAC2-[1-(difluoromethyl)cyclopropyl]benzoic acid
SMILESO=C(O)c1ccccc1C1(C(F)F)CC1
InChIInChI=1S/C11H10F2O2/c12-10(13)11(5-6-11)8-4-2-1-3-7(8)9(14)15/h1-4,10H,5-6H2,(H,14,15)
InChIKeySXSDZSRIHMHYMZ-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.68
Rot. Bonds3

About 2-[1-(difluoromethyl)cyclopropyl]benzoic acid

2-[1-(difluoromethyl)cyclopropyl]benzoic acid (PubChem CID 84723372) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)cyclopropyl]benzoic acid.

Molecular Properties

Compound Name2-[1-(difluoromethyl)cyclopropyl]benzoic acid
PubChem CID84723372
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name2-[1-(difluoromethyl)cyclopropyl]benzoic acid
SMILESO=C(O)c1ccccc1C1(C(F)F)CC1
InChIInChI=1S/C11H10F2O2/c12-10(13)11(5-6-11)8-4-2-1-3-7(8)9(14)15/h1-4,10H,5-6H2,(H,14,15)
InChIKeySXSDZSRIHMHYMZ-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
2-(1-isocyanocyclopropyl)benzoic acid
CID 140726071
2-[1-(difluoromethyl)cyclopropyl]aniline
CID 84718752
2-(1-chlorocyclobutyl)benzoic acid
CID 174912911
2-(1-phenylcyclohexyl)benzoic acid
CID 67822323
2-(4-hydroxypiperidin-4-yl)benzoic acid
CID 105477286
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
2-(1-propylcyclohexyl)benzoic acid
CID 174854619
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
barium(2+);hydride;phthalic acid
CID 173000011

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)cyclopropyl]benzoic acid?
The IUPAC name of 2-[1-(difluoromethyl)cyclopropyl]benzoic acid (CID 84723372) is 2-[1-(difluoromethyl)cyclopropyl]benzoic acid.
What is the SMILES notation for 2-[1-(difluoromethyl)cyclopropyl]benzoic acid?
The canonical SMILES for 2-[1-(difluoromethyl)cyclopropyl]benzoic acid is O=C(O)c1ccccc1C1(C(F)F)CC1.
What is the InChIKey of 2-[1-(difluoromethyl)cyclopropyl]benzoic acid?
The InChIKey is SXSDZSRIHMHYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-10(13)11(5-6-11)8-4-2-1-3-7(8)9(14)15/h1-4,10H,5-6H2,(H,14,15).
What are the key properties of 2-[1-(difluoromethyl)cyclopropyl]benzoic acid?
2-[1-(difluoromethyl)cyclopropyl]benzoic acid has a molecular weight of 212.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)cyclopropyl]benzoic acid is sourced from PubChem (CID 84723372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).