1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid

C18H17FO2 — CID 117457844

IUPAC1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)c(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C18H17FO2/c19-16-9-8-14(18(17(20)21)10-4-5-11-18)12-15(16)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,21)
InChIKeyHAWRAYUGXKTAGZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid

1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117457844) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117457844
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(F)c(-c3ccccc3)c2)CCCC1
InChIInChI=1S/C18H17FO2/c19-16-9-8-14(18(17(20)21)10-4-5-11-18)12-15(16)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,21)
InChIKeyHAWRAYUGXKTAGZ-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
CID 117465606
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-[3-(2-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549721
1-[4-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361935
1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117450257
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117437895
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
CID 117497632

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid (CID 117457844) is 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(F)c(-c3ccccc3)c2)CCCC1.
What is the InChIKey of 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is HAWRAYUGXKTAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c19-16-9-8-14(18(17(20)21)10-4-5-11-18)12-15(16)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,21).
What are the key properties of 1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid?
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 284.33 g/mol, XLogP of 4.39, 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-phenylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117457844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).