(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine

C11H18F3N — CID 89088185

IUPAC(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
SMILESC=CC(/C=C(\C)NC)CC(C)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-5-10(7-9(3)15-4)6-8(2)11(12,13)14/h5,7-8,10,15H,1,6H2,2-4H3/b9-7+
InChIKeyFVNQIYVDRJYUOL-VQHVLOKHSA-N
MW221.27 g/mol
LogP3.50
Rot. Bonds5

About (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine

(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine (PubChem CID 89088185) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
PubChem CID89088185
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine
SMILESC=CC(/C=C(\C)NC)CC(C)C(F)(F)F
InChIInChI=1S/C11H18F3N/c1-5-10(7-9(3)15-4)6-8(2)11(12,13)14/h5,7-8,10,15H,1,6H2,2-4H3/b9-7+
InChIKeyFVNQIYVDRJYUOL-VQHVLOKHSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.50
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 (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine?
The IUPAC name of (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine (CID 89088185) is (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine.
What is the SMILES notation for (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine?
The canonical SMILES for (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine is C=CC(/C=C(\C)NC)CC(C)C(F)(F)F.
What is the InChIKey of (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine?
The InChIKey is FVNQIYVDRJYUOL-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18F3N/c1-5-10(7-9(3)15-4)6-8(2)11(12,13)14/h5,7-8,10,15H,1,6H2,2-4H3/b9-7+.
What are the key properties of (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine?
(E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine has a molecular weight of 221.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethenyl-7,7,7-trifluoro-N,6-dimethylhept-2-en-2-amine is sourced from PubChem (CID 89088185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).