2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid

C13H13F3O2 — CID 66748836

IUPAC2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(5-2-6-12)8-11(17)18/h1,3-4,7H,2,5-6,8H2,(H,17,18)
InChIKeyOHRLLAYLTYKHEH-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.60
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid

2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid (PubChem CID 66748836) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
PubChem CID66748836
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(5-2-6-12)8-11(17)18/h1,3-4,7H,2,5-6,8H2,(H,17,18)
InChIKeyOHRLLAYLTYKHEH-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[3-(trifluoromethyl)phenyl]piperidin-2-yl]acetic acid
CID 115059093
4-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122003816
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976448
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid (CID 66748836) is 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid is O=C(O)CC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid?
The InChIKey is OHRLLAYLTYKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-4-1-3-9(7-10)12(5-2-6-12)8-11(17)18/h1,3-4,7H,2,5-6,8H2,(H,17,18).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid?
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid has a molecular weight of 258.24 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid is sourced from PubChem (CID 66748836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).