4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride

C8H13ClF3NO2 — CID 86775367

IUPAC4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCC(C(=O)O)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)7(12)3-1-5(2-4-7)6(13)14;/h5H,1-4,12H2,(H,13,14);1H
InChIKeyWHXFLDRFNITBHT-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.94
Rot. Bonds1

About 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride

4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 86775367) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID86775367
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC Name4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(F)(F)F)CCC(C(=O)O)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)7(12)3-1-5(2-4-7)6(13)14;/h5H,1-4,12H2,(H,13,14);1H
InChIKeyWHXFLDRFNITBHT-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 86775367) is 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.NC1(C(F)(F)F)CCC(C(=O)O)CC1.
What is the InChIKey of 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is WHXFLDRFNITBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)7(12)3-1-5(2-4-7)6(13)14;/h5H,1-4,12H2,(H,13,14);1H.
What are the key properties of 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride?
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 247.64 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 86775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).