1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

C11H8F4O2 — CID 117112349

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C11H8F4O2/c12-6-1-2-7(8(5-6)11(13,14)15)10(3-4-10)9(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyCXCZYTWLAQNBSN-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.96
Rot. Bonds2

About 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117112349) has the molecular formula C11H8F4O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117112349
Molecular FormulaC11H8F4O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C11H8F4O2/c12-6-1-2-7(8(5-6)11(13,14)15)10(3-4-10)9(16)17/h1-2,5H,3-4H2,(H,16,17)
InChIKeyCXCZYTWLAQNBSN-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclopropane-1-carboxylic acid
CID 117465469
1-(6-fluoro-1-benzothiophen-3-yl)cyclopropane-1-carboxylic acid
CID 171510347
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
4-(2-chloro-4-fluorophenyl)oxane-4-carboxylic acid
CID 63033334
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (CID 117112349) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is CXCZYTWLAQNBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O2/c12-6-1-2-7(8(5-6)11(13,14)15)10(3-4-10)9(16)17/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 248.17 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117112349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).