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

C7H10FN — CID 146382942

IUPAC(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C(F)=C(/C)C(=C)N
InChIInChI=1S/C7H10FN/c1-4-7(8)5(2)6(3)9/h4H,1,3,9H2,2H3/b7-5+
InChIKeyWZKIZUULFQTUMF-FNORWQNLSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

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

(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine (PubChem CID 146382942) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine
PubChem CID146382942
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine
SMILESC=C/C(F)=C(/C)C(=C)N
InChIInChI=1S/C7H10FN/c1-4-7(8)5(2)6(3)9/h4H,1,3,9H2,2H3/b7-5+
InChIKeyWZKIZUULFQTUMF-FNORWQNLSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-6-methylcyclohexa-1,5-dien-1-amine
CID 68217515
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(1E,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 88558952
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(1E,3Z)-1-fluoro-3-methylpenta-1,3-dien-1-amine
CID 89141319
(2E,4E)-3-fluorohepta-2,4-dien-4-amine
CID 89214767
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
CID 89326034
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(1E,3Z)-1-fluoro-3-methylhexa-1,3,5-trien-1-amine
CID 118883041
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(3E,5E)-5-fluoro-2-methylhepta-1,3,5-trien-3-amine
CID 129169854

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine (CID 146382942) is (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine is C=C/C(F)=C(/C)C(=C)N.
What is the InChIKey of (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine?
The InChIKey is WZKIZUULFQTUMF-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(8)5(2)6(3)9/h4H,1,3,9H2,2H3/b7-5+.
What are the key properties of (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine?
(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 146382942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).