(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine

C11H18FN — CID 153392502

IUPAC(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
SMILESC=C(C)C(/C=C(\C)C(C)(C)F)=N\C
InChIInChI=1S/C11H18FN/c1-8(2)10(13-6)7-9(3)11(4,5)12/h7H,1H2,2-6H3/b9-7+,13-10-
InChIKeyQCKJWISYSMRMPX-KCOVVYJESA-N
MW183.27 g/mol
LogP3.33
Rot. Bonds3

About (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine

(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine (PubChem CID 153392502) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
PubChem CID153392502
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine
SMILESC=C(C)C(/C=C(\C)C(C)(C)F)=N\C
InChIInChI=1S/C11H18FN/c1-8(2)10(13-6)7-9(3)11(4,5)12/h7H,1H2,2-6H3/b9-7+,13-10-
InChIKeyQCKJWISYSMRMPX-KCOVVYJESA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
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
(E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hept-4-en-3-imine
CID 123240234
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(3E,6Z)-9-ethenyl-4-fluoro-2,6,8-trimethyl-5,8-dihydro-2H-azonine
CID 126592408

Frequently Asked Questions

What is the IUPAC name of (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine?
The IUPAC name of (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine (CID 153392502) is (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine.
What is the SMILES notation for (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine?
The canonical SMILES for (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine is C=C(C)C(/C=C(\C)C(C)(C)F)=N\C.
What is the InChIKey of (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine?
The InChIKey is QCKJWISYSMRMPX-KCOVVYJESA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)10(13-6)7-9(3)11(4,5)12/h7H,1H2,2-6H3/b9-7+,13-10-.
What are the key properties of (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine?
(4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine has a molecular weight of 183.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-fluoro-N,2,5,6-tetramethylhepta-1,4-dien-3-imine is sourced from PubChem (CID 153392502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).