(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine

C7H8F3N — CID 87085214

IUPAC(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-6(7(8,9)10)4-2-3-5-11/h2-5H,1,11H2/b4-2-,5-3-
InChIKeyQGQLHTWUWKXWFD-JVLMNHKTSA-N
MW163.14 g/mol
LogP2.13
Rot. Bonds2

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

(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine (PubChem CID 87085214) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
PubChem CID87085214
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C=C/N)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-6(7(8,9)10)4-2-3-5-11/h2-5H,1,11H2/b4-2-,5-3-
InChIKeyQGQLHTWUWKXWFD-JVLMNHKTSA-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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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine (CID 87085214) is (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine is C=C(/C=C\C=C/N)C(F)(F)F.
What is the InChIKey of (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is QGQLHTWUWKXWFD-JVLMNHKTSA-N. The full InChI is InChI=1S/C7H8F3N/c1-6(7(8,9)10)4-2-3-5-11/h2-5H,1,11H2/b4-2-,5-3-.
What are the key properties of (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-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 (1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 87085214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).