(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine

C7H10F3N — CID 142851447

IUPAC(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine
SMILESCC(/C=C\CC(F)(F)F)=C/N
InChIInChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h2-3,5H,4,11H2,1H3/b3-2-,6-5-
InChIKeyWUPCZOYHHSLOCE-QFBDUHRLSA-N
MW165.16 g/mol
LogP2.36
Rot. Bonds2

About (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine

(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine (PubChem CID 142851447) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine
PubChem CID142851447
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine
SMILESCC(/C=C\CC(F)(F)F)=C/N
InChIInChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h2-3,5H,4,11H2,1H3/b3-2-,6-5-
InChIKeyWUPCZOYHHSLOCE-QFBDUHRLSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine (CID 142851447) is (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine is CC(/C=C\CC(F)(F)F)=C/N.
What is the InChIKey of (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine?
The InChIKey is WUPCZOYHHSLOCE-QFBDUHRLSA-N. The full InChI is InChI=1S/C7H10F3N/c1-6(5-11)3-2-4-7(8,9)10/h2-3,5H,4,11H2,1H3/b3-2-,6-5-.
What are the key properties of (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine?
(1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-6,6,6-trifluoro-2-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 142851447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).