(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine

C8H12F3N — CID 129028560

IUPAC(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)N)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-7(8(9,10)11)5-4-6(2)12/h3-6H,12H2,1-2H3/b5-4-,7-3+
InChIKeyIYBUFMVEAQHNAU-SBYNAHCQSA-N
MW179.19 g/mol
LogP2.40
Rot. Bonds2

About (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine

(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine (PubChem CID 129028560) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine
PubChem CID129028560
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)N)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-7(8(9,10)11)5-4-6(2)12/h3-6H,12H2,1-2H3/b5-4-,7-3+
InChIKeyIYBUFMVEAQHNAU-SBYNAHCQSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.40
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 (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine (CID 129028560) is (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine is C/C=C(\C=C/C(C)N)C(F)(F)F.
What is the InChIKey of (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine?
The InChIKey is IYBUFMVEAQHNAU-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-7(8(9,10)11)5-4-6(2)12/h3-6H,12H2,1-2H3/b5-4-,7-3+.
What are the key properties of (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine?
(3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine has a molecular weight of 179.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(trifluoromethyl)hepta-3,5-dien-2-amine is sourced from PubChem (CID 129028560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).