N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine

C10H14FN — CID 142004197

IUPACN-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
SMILESC=C/C(C)=C(/N=C/C)C(\F)=C/C
InChIInChI=1S/C10H14FN/c1-5-8(4)10(12-7-3)9(11)6-2/h5-7H,1H2,2-4H3/b9-6+,10-8+,12-7+
InChIKeyCXMHXRKDXWIQNU-FFIZIIBZSA-N
MW167.23 g/mol
LogP3.41
Rot. Bonds3

About N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine

N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine (PubChem CID 142004197) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine.

Molecular Properties

Compound NameN-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
PubChem CID142004197
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC NameN-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
SMILESC=C/C(C)=C(/N=C/C)C(\F)=C/C
InChIInChI=1S/C10H14FN/c1-5-8(4)10(12-7-3)9(11)6-2/h5-7H,1H2,2-4H3/b9-6+,10-8+,12-7+
InChIKeyCXMHXRKDXWIQNU-FFIZIIBZSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.41
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

(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
CID 163860907
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]ethanimine
CID 166976428
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine?
The IUPAC name of N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine (CID 142004197) is N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine.
What is the SMILES notation for N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine?
The canonical SMILES for N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine is C=C/C(C)=C(/N=C/C)C(\F)=C/C.
What is the InChIKey of N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine?
The InChIKey is CXMHXRKDXWIQNU-FFIZIIBZSA-N. The full InChI is InChI=1S/C10H14FN/c1-5-8(4)10(12-7-3)9(11)6-2/h5-7H,1H2,2-4H3/b9-6+,10-8+,12-7+.
What are the key properties of N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine?
N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine has a molecular weight of 167.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine is sourced from PubChem (CID 142004197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).