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

C7H12FN — CID 139473395

IUPAC(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
SMILESC=C/C(C)=C(/N)C(C)F
InChIInChI=1S/C7H12FN/c1-4-5(2)7(9)6(3)8/h4,6H,1,9H2,2-3H3/b7-5+
InChIKeyAEYNEGFONOXEDR-FNORWQNLSA-N
MW129.18 g/mol
LogP1.76
Rot. Bonds2

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

(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine (PubChem CID 139473395) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
PubChem CID139473395
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
SMILESC=C/C(C)=C(/N)C(C)F
InChIInChI=1S/C7H12FN/c1-4-5(2)7(9)6(3)8/h4,6H,1,9H2,2-3H3/b7-5+
InChIKeyAEYNEGFONOXEDR-FNORWQNLSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.76
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

6-Amino-6-methylfulvene
CID 572231
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
CID 89202280
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(3E,5E)-6-fluorohexa-3,5-dien-3-amine
CID 89259713
(3E)-4-fluorohexa-3,5-dien-3-amine
CID 89416406
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine?
The IUPAC name of (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine (CID 139473395) is (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine is C=C/C(C)=C(/N)C(C)F.
What is the InChIKey of (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine?
The InChIKey is AEYNEGFONOXEDR-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-5(2)7(9)6(3)8/h4,6H,1,9H2,2-3H3/b7-5+.
What are the key properties of (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine?
(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine has a molecular weight of 129.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine is sourced from PubChem (CID 139473395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).