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

C13H21F6N — CID 103311979

IUPAC1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCCC1CCCCC1C(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6N/c1-3-8-6-4-5-7-9(8)10(20-2)11(12(14,15)16)13(17,18)19/h8-11,20H,3-7H2,1-2H3
InChIKeyLVRWVXPHQRTLMC-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.53
Rot. Bonds4

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

1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103311979) has the molecular formula C13H21F6N and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103311979
Molecular FormulaC13H21F6N
Molecular Weight305.31 g/mol
Exact Mass305.16
IUPAC Name1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCCC1CCCCC1C(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6N/c1-3-8-6-4-5-7-9(8)10(20-2)11(12(14,15)16)13(17,18)19/h8-11,20H,3-7H2,1-2H3
InChIKeyLVRWVXPHQRTLMC-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
1-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311643
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
cyclopentyl-(2-ethylcyclohexyl)methanamine
CID 63861297
1-(2-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063279
1-(2-ethylcyclohexyl)-N-methylhexan-1-amine
CID 115862819
1-(2-ethylcyclohexyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 115862729
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 115862666
1-(2-ethylcyclopentyl)-2,2-difluoroethanol
CID 153329639
[1-(2-ethylcyclohexyl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 105273460
3-(2-ethylcyclohexyl)-N-methylbutan-1-amine
CID 81012957

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103311979) is 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CCC1CCCCC1C(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is LVRWVXPHQRTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6N/c1-3-8-6-4-5-7-9(8)10(20-2)11(12(14,15)16)13(17,18)19/h8-11,20H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 305.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103311979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).