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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Related Compounds

CID 134975283
CID 134975283
CID 25215699
CID 25215699
CID 74432311
CID 74432311
CID 88588160
CID 88588160
CID 88588161
CID 88588161
CID 89073810
CID 89073810
CID 89198951
CID 89198951
CID 121450914
CID 121450914
CID 121451036
CID 121451036
CID 121451108
CID 121451108
CID 121451124
CID 121451124
CID 121451126
CID 121451126

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).