1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid

C16H12F2O2 — CID 117438016

IUPAC1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CC1
InChIInChI=1S/C16H12F2O2/c17-12-4-1-10(2-5-12)11-3-6-14(18)13(9-11)16(7-8-16)15(19)20/h1-6,9H,7-8H2,(H,19,20)
InChIKeyXAFSIUMRXCWIED-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.75
Rot. Bonds3

About 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid

1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 117438016) has the molecular formula C16H12F2O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID117438016
Molecular FormulaC16H12F2O2
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CC1
InChIInChI=1S/C16H12F2O2/c17-12-4-1-10(2-5-12)11-3-6-14(18)13(9-11)16(7-8-16)15(19)20/h1-6,9H,7-8H2,(H,19,20)
InChIKeyXAFSIUMRXCWIED-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117112349
1-fluoro-4-(4-fluorophenyl)-2-(1-isocyanatocyclopropyl)benzene
CID 117430682
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid (CID 117438016) is 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(-c3ccc(F)cc3)ccc2F)CC1.
What is the InChIKey of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is XAFSIUMRXCWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2/c17-12-4-1-10(2-5-12)11-3-6-14(18)13(9-11)16(7-8-16)15(19)20/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).