N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine

C12H20FN — CID 129172083

IUPACN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(\F)CCC)CCC
InChIInChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+
InChIKeyYSCVMERIORZBHI-UBLOARBOSA-N
MW197.30 g/mol
LogP4.41
Rot. Bonds6

About N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine

N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine (PubChem CID 129172083) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
PubChem CID129172083
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC NameN-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(\C=C(\F)CCC)CCC
InChIInChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+
InChIKeyYSCVMERIORZBHI-UBLOARBOSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 54.41
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'}

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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-(6-fluoro-4-methylideneocta-5,7-dienyl)ethanimine
CID 123683732
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
(Z)-2-fluoro-N,4-dimethylhex-4-en-1-imine
CID 129299980
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine (CID 129172083) is N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine is C/C=N/C=C(\C=C(\F)CCC)CCC.
What is the InChIKey of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
The InChIKey is YSCVMERIORZBHI-UBLOARBOSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-7-11(10-14-6-3)9-12(13)8-5-2/h6,9-10H,4-5,7-8H2,1-3H3/b11-10-,12-9+,14-6+.
What are the key properties of N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine?
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine has a molecular weight of 197.30 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine is sourced from PubChem (CID 129172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).