2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid

C15H18F3NO2 — CID 79870871

IUPAC2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H18F3NO2/c1-14(2)7-3-4-12(14)19-11-6-5-9(15(16,17)18)8-10(11)13(20)21/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyFPZNGFOVBRHUMG-UHFFFAOYSA-N
MW301.31 g/mol
LogP4.39
Rot. Bonds3

About 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid

2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 79870871) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
PubChem CID79870871
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESCC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H18F3NO2/c1-14(2)7-3-4-12(14)19-11-6-5-9(15(16,17)18)8-10(11)13(20)21/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,20,21)
InChIKeyFPZNGFOVBRHUMG-UHFFFAOYSA-N
XLogP4.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid (CID 79870871) is 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid is CC1(C)CCCC1Nc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is FPZNGFOVBRHUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(2)7-3-4-12(14)19-11-6-5-9(15(16,17)18)8-10(11)13(20)21/h5-6,8,12,19H,3-4,7H2,1-2H3,(H,20,21).
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid?
2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 301.31 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 79870871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).