3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine

C12H19F6N — CID 103312004

IUPAC3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1CCC(C)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6N/c1-7-3-5-8(6-4-7)9(19-2)10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyOTRQIQAMSDYWOG-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.14
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312004) has the molecular formula C12H19F6N and a molecular weight of 291.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312004
Molecular FormulaC12H19F6N
Molecular Weight291.28 g/mol
Exact Mass291.14
IUPAC Name3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine
SMILESCNC(C1CCC(C)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6N/c1-7-3-5-8(6-4-7)9(19-2)10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3
InChIKeyOTRQIQAMSDYWOG-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311643
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
(1R)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 94033456
N,3,3-trimethyl-1-(4-methylcyclohexyl)butan-1-amine
CID 64776068
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311644
[2,2-difluoro-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105265151
2-methyl-2-(methylamino)-1-(4-methylcyclohexyl)propan-1-ol
CID 130589667
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311979
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
N-methyl-1-(4-methylcyclohexyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 104987916
1-cyclopropyl-N-methyl-2-propylpentan-1-amine
CID 104994098

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine (CID 103312004) is 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine is CNC(C1CCC(C)CC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is OTRQIQAMSDYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6N/c1-7-3-5-8(6-4-7)9(19-2)10(11(13,14)15)12(16,17)18/h7-10,19H,3-6H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 291.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(4-methylcyclohexyl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).