(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine

C8H12FN — CID 170019336

IUPAC(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C(F)=C\C(C)=N\C
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+
InChIKeyCPKRJRZJVCXQDW-FQOLVZPASA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds2

About (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine

(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine (PubChem CID 170019336) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
PubChem CID170019336
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C(F)=C\C(C)=N\C
InChIInChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+
InChIKeyCPKRJRZJVCXQDW-FQOLVZPASA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
1-Fluoro-2,4,7-trimethyl-1-azoniacyclohepta-1,3,5,6-tetraene
CID 91217586
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(Z)-2-(1-fluoroethenyl)-4-methyliminopent-2-enenitrile
CID 123821610

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine (CID 170019336) is (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine is C=C(C)/C(F)=C\C(C)=N\C.
What is the InChIKey of (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine?
The InChIKey is CPKRJRZJVCXQDW-FQOLVZPASA-N. The full InChI is InChI=1S/C8H12FN/c1-6(2)8(9)5-7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+.
What are the key properties of (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine?
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 170019336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).