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

C8H14F3N — CID 124508979

IUPACcis-(1R,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-NKWVEPMBSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds1

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

cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124508979) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124508979
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Namecis-(1R,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-NKWVEPMBSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine (CID 124508979) is cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine is CN[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KFIUESOKROCZNL-NKWVEPMBSA-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 cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine?
cis-(1R,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 cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124508979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).