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

C8H14F3N — CID 95757194

IUPAC[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7H,1-5,12H2/t6-,7-/m0/s1
InChIKeyCZGOAYQUWPMQDF-BQBZGAKWSA-N
MW181.20 g/mol
LogP2.31
Rot. Bonds1

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

[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 95757194) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID95757194
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNC[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7H,1-5,12H2/t6-,7-/m0/s1
InChIKeyCZGOAYQUWPMQDF-BQBZGAKWSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine (CID 95757194) is [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine is NC[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CZGOAYQUWPMQDF-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7H,1-5,12H2/t6-,7-/m0/s1.
What are the key properties of [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine?
[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 181.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 95757194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).