[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride

C8H15ClF3N — CID 170912591

IUPAC[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h6-7H,1-5,12H2;1H/t6-,7+;/m0./s1
InChIKeyNEAQEDVUDOKYGJ-UOERWJHTSA-N
MW217.66 g/mol
LogP2.74
Rot. Bonds1

About [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride

[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride (PubChem CID 170912591) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
PubChem CID170912591
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC Name[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NC[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h6-7H,1-5,12H2;1H/t6-,7+;/m0./s1
InChIKeyNEAQEDVUDOKYGJ-UOERWJHTSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
[2-(trifluoromethyl)cyclopropyl]methanamine;hydrochloride
CID 155896271
(2-tert-butylcyclopentyl)methanamine
CID 81010669
2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
CID 11138028
1-(isocyanomethyl)-2-(trifluoromethyl)cyclohexane
CID 84771786
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683
trans-(1S,2S)-2-(aminomethyl)cyclooctan-1-ol;hydrochloride
CID 2725085
[(2S,3R)-1-methyl-2-(trifluoromethyl)azepan-3-yl]methanamine
CID 96614436
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride (CID 170912591) is [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride is Cl.NC[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The InChIKey is NEAQEDVUDOKYGJ-UOERWJHTSA-N. The full InChI is InChI=1S/C8H14F3N.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h6-7H,1-5,12H2;1H/t6-,7+;/m0./s1.
What are the key properties of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 170912591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).