1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine

C8H11F6N — CID 103311757

IUPAC1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=CCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-3-4-5(15-2)6(7(9,10)11)8(12,13)14/h3,5-6,15H,1,4H2,2H3
InChIKeyNMTSIJVWZBWSCY-UHFFFAOYSA-N
MW235.17 g/mol
LogP2.89
Rot. Bonds4

About 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine

1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103311757) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103311757
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=CCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-3-4-5(15-2)6(7(9,10)11)8(12,13)14/h3,5-6,15H,1,4H2,2H3
InChIKeyNMTSIJVWZBWSCY-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
1,1,1-trifluoro-N-methylhex-5-en-3-amine
CID 61392638
N-ethyl-1,1,1-trifluorohex-5-en-3-amine
CID 61392752
1,1,1-Trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311756
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311758
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311759
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311998
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311999
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312001
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312002

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine (CID 103311757) is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine is C=CCC(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is NMTSIJVWZBWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N/c1-3-4-5(15-2)6(7(9,10)11)8(12,13)14/h3,5-6,15H,1,4H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 235.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine is sourced from PubChem (CID 103311757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).