(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine

C7H8F3N — CID 134254169

IUPAC(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)N)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(5(2)11)7(8,9)10/h3-4H,1-2,11H2/b6-4+
InChIKeySGSMTFBLLLJVQV-GQCTYLIASA-N
MW163.14 g/mol
LogP2.13
Rot. Bonds2

About (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine

(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine (PubChem CID 134254169) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
PubChem CID134254169
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)N)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-3-4-6(5(2)11)7(8,9)10/h3-4H,1-2,11H2/b6-4+
InChIKeySGSMTFBLLLJVQV-GQCTYLIASA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.13
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
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088
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
(3E)-2-(trifluoromethyl)hexa-1,3,5-trien-3-amine
CID 89153824
(2Z,4Z)-5-ethyl-1,1,1-trifluorohepta-2,4,6-trien-2-amine
CID 89284960
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(2Z,4E,6E)-8,8,8-trifluoro-3,7-dimethylocta-2,4,6-trien-4-amine
CID 130242697

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine (CID 134254169) is (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine is C=C/C=C(\C(=C)N)C(F)(F)F.
What is the InChIKey of (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is SGSMTFBLLLJVQV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H8F3N/c1-3-4-6(5(2)11)7(8,9)10/h3-4H,1-2,11H2/b6-4+.
What are the key properties of (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 163.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 134254169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).