N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride

C8H10FN — CID 143398737

IUPACN-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
SMILESC=C/C=C(C)\C=C/N=C/F
InChIInChI=1S/C8H10FN/c1-3-4-8(2)5-6-10-7-9/h3-7H,1H2,2H3/b6-5-,8-4-,10-7+
InChIKeyOVGGKGGBGBOARK-VXLXXJATSA-N
MW139.17 g/mol
LogP2.63
Rot. Bonds3

About N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride

N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride (PubChem CID 143398737) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
PubChem CID143398737
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC NameN-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride
SMILESC=C/C=C(C)\C=C/N=C/F
InChIInChI=1S/C8H10FN/c1-3-4-8(2)5-6-10-7-9/h3-7H,1H2,2H3/b6-5-,8-4-,10-7+
InChIKeyOVGGKGGBGBOARK-VXLXXJATSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride 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

N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1Z,3E)-4-fluoro-3-propan-2-ylpenta-1,3-dienyl]methanimine
CID 135202911
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 139452162
N-[(1Z)-3-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 139565422

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride?
The IUPAC name of N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride (CID 143398737) is N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride.
What is the SMILES notation for N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride?
The canonical SMILES for N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride is C=C/C=C(C)\C=C/N=C/F.
What is the InChIKey of N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride?
The InChIKey is OVGGKGGBGBOARK-VXLXXJATSA-N. The full InChI is InChI=1S/C8H10FN/c1-3-4-8(2)5-6-10-7-9/h3-7H,1H2,2H3/b6-5-,8-4-,10-7+.
What are the key properties of N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride?
N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride has a molecular weight of 139.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-methylhexa-1,3,5-trienyl]methanimidoyl fluoride is sourced from PubChem (CID 143398737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).