1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid

C17H14F2O2 — CID 117465606

IUPAC1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)c(-c3ccccc3F)c2)CCC1
InChIInChI=1S/C17H14F2O2/c18-14-5-2-1-4-12(14)13-10-11(6-7-15(13)19)17(16(20)21)8-3-9-17/h1-2,4-7,10H,3,8-9H2,(H,20,21)
InChIKeyCHCMMEIGSNQDOQ-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.14
Rot. Bonds3

About 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid

1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid (PubChem CID 117465606) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
PubChem CID117465606
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)c(-c3ccccc3F)c2)CCC1
InChIInChI=1S/C17H14F2O2/c18-14-5-2-1-4-12(14)13-10-11(6-7-15(13)19)17(16(20)21)8-3-9-17/h1-2,4-7,10H,3,8-9H2,(H,20,21)
InChIKeyCHCMMEIGSNQDOQ-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid (CID 117465606) is 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc(F)c(-c3ccccc3F)c2)CCC1.
What is the InChIKey of 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid?
The InChIKey is CHCMMEIGSNQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-14-5-2-1-4-12(14)13-10-11(6-7-15(13)19)17(16(20)21)8-3-9-17/h1-2,4-7,10H,3,8-9H2,(H,20,21).
What are the key properties of 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid?
1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid has a molecular weight of 288.29 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117465606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).