2-fluoro-5-methylhexa-1,4-dien-3-imine

C7H10FN — CID 123879479

IUPAC2-fluoro-5-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C(C)C)C(=C)F
InChIInChI=1S/C7H10FN/c1-5(2)4-7(9)6(3)8/h4,9H,3H2,1-2H3/b9-7+
InChIKeyFBFHDGLWUYZOFH-VQHVLOKHSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About 2-fluoro-5-methylhexa-1,4-dien-3-imine

2-fluoro-5-methylhexa-1,4-dien-3-imine (PubChem CID 123879479) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-5-methylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name2-fluoro-5-methylhexa-1,4-dien-3-imine
PubChem CID123879479
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-5-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(\C=C(C)C)C(=C)F
InChIInChI=1S/C7H10FN/c1-5(2)4-7(9)6(3)8/h4,9H,3H2,1-2H3/b9-7+
InChIKeyFBFHDGLWUYZOFH-VQHVLOKHSA-N
XLogP2.46
TPSA23.85 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-fluoro-5-methylhexa-1,4-dien-3-imine 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

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
1-Fluoro-3-methylbut-3-en-2-imine
CID 89411952
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
4-Fluorohex-4-en-3-imine
CID 91259833
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(E)-5-fluorohex-4-en-3-imine
CID 91325186
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(E)-4-fluorohex-4-en-3-imine
CID 91480472
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3E,5E)-3,5-difluorohepta-3,5-dien-2-imine
CID 117718963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methylhexa-1,4-dien-3-imine?
The IUPAC name of 2-fluoro-5-methylhexa-1,4-dien-3-imine (CID 123879479) is 2-fluoro-5-methylhexa-1,4-dien-3-imine.
What is the SMILES notation for 2-fluoro-5-methylhexa-1,4-dien-3-imine?
The canonical SMILES for 2-fluoro-5-methylhexa-1,4-dien-3-imine is [H]/N=C(\C=C(C)C)C(=C)F.
What is the InChIKey of 2-fluoro-5-methylhexa-1,4-dien-3-imine?
The InChIKey is FBFHDGLWUYZOFH-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10FN/c1-5(2)4-7(9)6(3)8/h4,9H,3H2,1-2H3/b9-7+.
What are the key properties of 2-fluoro-5-methylhexa-1,4-dien-3-imine?
2-fluoro-5-methylhexa-1,4-dien-3-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methylhexa-1,4-dien-3-imine is sourced from PubChem (CID 123879479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).