1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid

C16H13FO2 — CID 83549723

IUPAC1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C16H13FO2/c17-14-6-4-11(5-7-14)12-2-1-3-13(10-12)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19)
InChIKeyHNLIMFPUHQWBBL-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.61
Rot. Bonds3

About 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid

1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 83549723) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID83549723
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C16H13FO2/c17-14-6-4-11(5-7-14)12-2-1-3-13(10-12)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19)
InChIKeyHNLIMFPUHQWBBL-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Naphthaleneacetic Acid
CID 6862
Felbinac
CID 3332
Flurbiprofen
CID 3394
Esflurbiprofen
CID 72099
Tarenflurbil
CID 92337
Diphenylacetic Acid
CID 8333
m-Tolylacetic acid
CID 12121
3-Biphenylylacetic acid
CID 32153
2-(2-Fluoro-(1,1'-biphenyl)-4-yl)acetic acid
CID 11831237
Fezagepras
CID 24749700
m-Phenylenediacetic acid
CID 29788
4-Bromo-2,2-diphenylbutyric acid
CID 2756959

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid (CID 83549723) is 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2cccc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is HNLIMFPUHQWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO2/c17-14-6-4-11(5-7-14)12-2-1-3-13(10-12)16(8-9-16)15(18)19/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid?
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).