1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine

C9H13F6N — CID 103312001

IUPAC1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-3-4-5-6(16-2)7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3
InChIKeyWCNBOMZFRSEPCP-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.28
Rot. Bonds5

About 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine

1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine (PubChem CID 103312001) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine
PubChem CID103312001
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-3-4-5-6(16-2)7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3
InChIKeyWCNBOMZFRSEPCP-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
Ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
CID 163278944
7,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 163278945
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
(Z,2S,4R,5R)-7-fluoro-N,3,4,5-tetramethylhept-6-en-2-amine
CID 164044119
1-cyclohex-3-en-1-yl-2,2,2-trifluoro-N-methylethanamine
CID 55296158
1-[(1R)-cyclohex-3-en-1-yl]-2,2,2-trifluoro-N-methylethanamine
CID 55296159
1,1,1-trifluoro-N-propylhept-6-en-3-amine
CID 64297000
1,1,1-trifluoro-N-methylhept-6-en-3-amine
CID 64300206

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine (CID 103312001) is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine is C=CCCC(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine?
The InChIKey is WCNBOMZFRSEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-3-4-5-6(16-2)7(8(10,11)12)9(13,14)15/h3,6-7,16H,1,4-5H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine?
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine has a molecular weight of 249.20 g/mol, XLogP of 3.28, 5 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)hept-6-en-3-amine is sourced from PubChem (CID 103312001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).