1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid

C14H18FNO2 — CID 79857270

IUPAC1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCC1(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-13(2)8-5-9-14(13,12(17)18)16-11-7-4-3-6-10(11)15/h3-4,6-7,16H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyIODZRBYDZXVBSC-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.27
Rot. Bonds3

About 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid

1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid (PubChem CID 79857270) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
PubChem CID79857270
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCC1(Nc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO2/c1-13(2)8-5-9-14(13,12(17)18)16-11-7-4-3-6-10(11)15/h3-4,6-7,16H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyIODZRBYDZXVBSC-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 79848111
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
1-(3-chloroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79856476
3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide
CID 79928772
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
1-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 7158135
methyl 1-(2-fluoroanilino)-2-methylcyclohexane-1-carboxylate
CID 54890793
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid (CID 79857270) is 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid is CC1(C)CCCC1(Nc1ccccc1F)C(=O)O.
What is the InChIKey of 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is IODZRBYDZXVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2)8-5-9-14(13,12(17)18)16-11-7-4-3-6-10(11)15/h3-4,6-7,16H,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid?
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79857270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).