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

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Related Compounds

1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-[3-(2-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549721
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-[3-(2-chlorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83557768
1-[4-[3-(dimethylamino)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 39226104
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
4-(3-fluorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681784
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-[3-(furan-3-yl)phenyl]cyclobutane-1-carboxylic acid
CID 166242404
4-(cyclopropylmethoxy)-4-[4-(4-fluorophenyl)phenyl]-1-phenylcyclohexane-1-carboxylic acid
CID 59442699
4-[3-(4-fluorophenyl)sulfanylphenyl]oxane-4-carboxylic acid
CID 20658773
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380

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).