(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine

C12H18F3N — CID 153389453

IUPAC(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine
SMILESC=C(/C=C\C(=C)C(C)C)CNCC(F)(F)F
InChIInChI=1S/C12H18F3N/c1-9(2)11(4)6-5-10(3)7-16-8-12(13,14)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyGZLXRXARGLHXRU-WAYWQWQTSA-N
MW233.28 g/mol
LogP3.46
Rot. Bonds6

About (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine

(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine (PubChem CID 153389453) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine.

Molecular Properties

Compound Name(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine
PubChem CID153389453
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine
SMILESC=C(/C=C\C(=C)C(C)C)CNCC(F)(F)F
InChIInChI=1S/C12H18F3N/c1-9(2)11(4)6-5-10(3)7-16-8-12(13,14)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyGZLXRXARGLHXRU-WAYWQWQTSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine?
The IUPAC name of (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine (CID 153389453) is (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine.
What is the SMILES notation for (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine?
The canonical SMILES for (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine is C=C(/C=C\C(=C)C(C)C)CNCC(F)(F)F.
What is the InChIKey of (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine?
The InChIKey is GZLXRXARGLHXRU-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H18F3N/c1-9(2)11(4)6-5-10(3)7-16-8-12(13,14)15/h5-6,9,16H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine?
(Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine has a molecular weight of 233.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-2,5-dimethylidene-N-(2,2,2-trifluoroethyl)hept-3-en-1-amine is sourced from PubChem (CID 153389453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).