2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid

C16H19F3O2 — CID 79736910

IUPAC2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid
SMILESCc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)ccc1F
InChIInChI=1S/C16H19F3O2/c1-11-8-12(4-5-13(11)17)16(18,19)10-15(9-14(20)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUVFFZPMGBJORRY-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid

2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid (PubChem CID 79736910) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid
PubChem CID79736910
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid
SMILESCc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)ccc1F
InChIInChI=1S/C16H19F3O2/c1-11-8-12(4-5-13(11)17)16(18,19)10-15(9-14(20)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUVFFZPMGBJORRY-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[2-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethyl]cyclopentyl]acetic acid
CID 61071336
2-[1-[2-(4-fluoro-2-methylphenyl)-2-oxoethyl]cyclopentyl]acetic acid
CID 146004474
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
2-[1-[2-(5-chloro-2-methylphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004335
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
2-[1-[2-(4-fluorophenyl)ethyl]cyclopentyl]acetic acid
CID 61070769
2-[1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81149045
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid (CID 79736910) is 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid is Cc1cc(C(F)(F)CC2(CC(=O)O)CCCC2)ccc1F.
What is the InChIKey of 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid?
The InChIKey is UVFFZPMGBJORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-11-8-12(4-5-13(11)17)16(18,19)10-15(9-14(20)21)6-2-3-7-15/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid?
2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid has a molecular weight of 300.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2,2-difluoro-2-(4-fluoro-3-methylphenyl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 79736910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).