2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid

C13H15FO2 — CID 115033268

IUPAC2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)C2CCC2)cc1
InChIInChI=1S/C13H15FO2/c14-13(10-2-1-3-10)11-6-4-9(5-7-11)8-12(15)16/h4-7,10,13H,1-3,8H2,(H,15,16)
InChIKeyLFCRMPQULVEFEW-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid

2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid (PubChem CID 115033268) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
PubChem CID115033268
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(F)C2CCC2)cc1
InChIInChI=1S/C13H15FO2/c14-13(10-2-1-3-10)11-6-4-9(5-7-11)8-12(15)16/h4-7,10,13H,1-3,8H2,(H,15,16)
InChIKeyLFCRMPQULVEFEW-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-[(2-cyclohexyl-2-fluoroethyl)sulfamoyl]phenyl]acetic acid
CID 167947922
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
2-[4-[(2,2-dicyclopropylacetyl)amino]phenyl]acetic acid
CID 120537806
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol;2-(4-methylphenyl)acetic acid;hydrochloride
CID 21117704
2-[4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]phenyl]acetic acid
CID 103251531
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid (CID 115033268) is 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid is O=C(O)Cc1ccc(C(F)C2CCC2)cc1.
What is the InChIKey of 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid?
The InChIKey is LFCRMPQULVEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-13(10-2-1-3-10)11-6-4-9(5-7-11)8-12(15)16/h4-7,10,13H,1-3,8H2,(H,15,16).
What are the key properties of 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid?
2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid has a molecular weight of 222.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid is sourced from PubChem (CID 115033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).