7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine

C9H13F6N — CID 121451133

IUPAC7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCNC(C)CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-6(16-2)4-3-5-7(8(10,11)12)9(13,14)15/h5-6,16H,3-4H2,1-2H3
InChIKeyGWBNEGMLRAAOPL-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.43
Rot. Bonds4

About 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine

7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine (PubChem CID 121451133) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine
PubChem CID121451133
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine
SMILESCNC(C)CCC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-6(16-2)4-3-5-7(8(10,11)12)9(13,14)15/h5-6,16H,3-4H2,1-2H3
InChIKeyGWBNEGMLRAAOPL-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine?
The IUPAC name of 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine (CID 121451133) is 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine.
What is the SMILES notation for 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine?
The canonical SMILES for 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine is CNC(C)CCC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine?
The InChIKey is GWBNEGMLRAAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-6(16-2)4-3-5-7(8(10,11)12)9(13,14)15/h5-6,16H,3-4H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine?
7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine has a molecular weight of 249.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine is sourced from PubChem (CID 121451133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).