2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

C12H13FO2 — CID 81009457

IUPAC2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(9)12(14)15/h1-2,4-5,9,11H,3,6-7H2,(H,14,15)
InChIKeyHPNBPHSDYHEIIN-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.48
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 81009457) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID81009457
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1Cc1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(9)12(14)15/h1-2,4-5,9,11H,3,6-7H2,(H,14,15)
InChIKeyHPNBPHSDYHEIIN-UHFFFAOYSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-[(4-ethylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 81009224
2-[(4-chlorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 81021533
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
2-[(3-bromo-4-methoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 81008346
trans-(1S,2R)-2-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755751
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031746
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
cis-(1S,2R)-2-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 57247235
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993220
2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221637

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid (CID 81009457) is 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is HPNBPHSDYHEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-4-1-8(2-5-10)7-9-3-6-11(9)12(14)15/h1-2,4-5,9,11H,3,6-7H2,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81009457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).