1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C11H17F6N — CID 103311643

IUPAC1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-18-8(7-5-3-2-4-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyKTIKVKXRHUXSTQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.90
Rot. Bonds3

About 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311643) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311643
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-18-8(7-5-3-2-4-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyKTIKVKXRHUXSTQ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
CID 103312004
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311644
1-cyclohexyl-2,2-difluoro-N-methylethanamine
CID 80606050
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311979
1-cyclohexyl-1-(methylamino)propan-2-ol
CID 116859518
1-cyclohexyl-1-N-methylpropane-1,2-diamine
CID 116948168
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
1-cyclohexyl-N-methyl-2-methylsulfonylpropan-1-amine
CID 114981438
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
1-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 79616561
cyclohexyl(methylamino)methanethiol
CID 116954590

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103311643) is 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(C1CCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is KTIKVKXRHUXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N/c1-18-8(7-5-3-2-4-6-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 277.25 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).