(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine

C10H14F3N — CID 89270021

IUPAC(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
SMILESC/C=C\C=C/C(=C(\C)CN)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-3-4-5-6-9(8(2)7-14)10(11,12)13/h3-6H,7,14H2,1-2H3/b4-3-,6-5-,9-8-
InChIKeyHBBFZBHAGXLALO-AAKIXIBCSA-N
MW205.22 g/mol
LogP2.96
Rot. Bonds3

About (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine

(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine (PubChem CID 89270021) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
PubChem CID89270021
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
SMILESC/C=C\C=C/C(=C(\C)CN)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-3-4-5-6-9(8(2)7-14)10(11,12)13/h3-6H,7,14H2,1-2H3/b4-3-,6-5-,9-8-
InChIKeyHBBFZBHAGXLALO-AAKIXIBCSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-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

Related Compounds

4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dien-1-amine
CID 88266399
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(E)-3-(trifluoromethyl)pent-2-en-1-amine
CID 88915468
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
CID 89009809
(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dien-1-amine
CID 89073924

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine (CID 89270021) is (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine is C/C=C\C=C/C(=C(\C)CN)C(F)(F)F.
What is the InChIKey of (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine?
The InChIKey is HBBFZBHAGXLALO-AAKIXIBCSA-N. The full InChI is InChI=1S/C10H14F3N/c1-3-4-5-6-9(8(2)7-14)10(11,12)13/h3-6H,7,14H2,1-2H3/b4-3-,6-5-,9-8-.
What are the key properties of (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine?
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine has a molecular weight of 205.22 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine is sourced from PubChem (CID 89270021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).