trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine

C8H14F3N — CID 124508980

IUPACtrans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyKFIUESOKROCZNL-BQBZGAKWSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds1

About trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine

trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124508980) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124508980
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Nametrans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCN[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyKFIUESOKROCZNL-BQBZGAKWSA-N
XLogP2.33
TPSA12.03 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82709358
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934180
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
N-(2,2-difluoroethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 115406111
2-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 64756873
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine (CID 124508980) is trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine is CN[C@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KFIUESOKROCZNL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124508980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).