(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine

C8H12FN — CID 144767318

IUPAC(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/NC)C(=C)F
InChIInChI=1S/C8H12FN/c1-5-6(2)8(10-4)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+
InChIKeyCNZLXUYZYDWQBH-SOFGYWHQSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds3

About (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine

(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 144767318) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
PubChem CID144767318
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/NC)C(=C)F
InChIInChI=1S/C8H12FN/c1-5-6(2)8(10-4)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+
InChIKeyCNZLXUYZYDWQBH-SOFGYWHQSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-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

(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 130429585
(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 134254189
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
(2Z)-3-fluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 134365597
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
3-fluoro-4-methyl-2-methylidene-1H-pyridine
CID 134432270
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239016

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine (CID 144767318) is (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine is C=C/C(C)=C(/NC)C(=C)F.
What is the InChIKey of (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is CNZLXUYZYDWQBH-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-6(2)8(10-4)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+.
What are the key properties of (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 144767318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).