(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine

C8H10F3N — CID 89074088

IUPAC(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5+
InChIKeyHWTKCVKMXYQIDL-YDFGWWAZSA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

About (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine

(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine (PubChem CID 89074088) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
PubChem CID89074088
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C=C(/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5+
InChIKeyHWTKCVKMXYQIDL-YDFGWWAZSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3Z,5E)-5-fluorohepta-1,3,5-trien-2-amine
CID 88936391
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
CID 89088339
CID 89088339
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-amine
CID 89189499
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
CID 89214774
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(2E,4Z,6E)-7-fluorohepta-2,4,6-trien-3-amine
CID 89336329

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine (CID 89074088) is (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine is C=C/C(N)=C\C=C(/C)C(F)(F)F.
What is the InChIKey of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine?
The InChIKey is HWTKCVKMXYQIDL-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,1,12H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine?
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine has a molecular weight of 177.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 89074088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).