cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C8H14F3N — CID 96628447

IUPACcis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1CC(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7+/m0/s1
InChIKeyWSUQSKKRQJAQFI-NKWVEPMBSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds1

About cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine

cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 96628447) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID96628447
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Namecis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCCC[C@H]1CC(F)(F)F
InChIInChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7+/m0/s1
InChIKeyWSUQSKKRQJAQFI-NKWVEPMBSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 96628448
trans-(1R,2R)-2-(aminomethyl)cyclohexan-1-amine;dihydrochloride
CID 163198683
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-(aminomethyl)cyclohexan-1-amine;dichloroplatinum
CID 21144702
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
2-(2-cyclopropylethyl)cyclopentan-1-amine
CID 138461758
(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
N-[(2-aminocyclohexyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 64929068
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
cyclohexanamine;2,2,2-trifluoroethanol
CID 173402481
trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane
CID 169302096
cis-(1R,2S)-2-prop-2-enylcyclohexan-1-amine
CID 12910257

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 96628447) is cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine is N[C@@H]1CCCC[C@H]1CC(F)(F)F.
What is the InChIKey of cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is WSUQSKKRQJAQFI-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)5-6-3-1-2-4-7(6)12/h6-7H,1-5,12H2/t6-,7+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 96628447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).