(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine

C12H16FN — CID 135254636

IUPAC(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
SMILES[H]N=C(C=C(C)C)C(/C=C\C(=C)F)=C/C
InChIInChI=1S/C12H16FN/c1-5-11(7-6-10(4)13)12(14)8-9(2)3/h5-8,14H,4H2,1-3H3/b7-6-,11-5+,14-12+
InChIKeyCWSJJBUODUCJQW-OYIWAQKHSA-N
MW193.26 g/mol
LogP3.96
Rot. Bonds4

About (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine

(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine (PubChem CID 135254636) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
PubChem CID135254636
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
SMILES[H]N=C(C=C(C)C)C(/C=C\C(=C)F)=C/C
InChIInChI=1S/C12H16FN/c1-5-11(7-6-10(4)13)12(14)8-9(2)3/h5-8,14H,4H2,1-3H3/b7-6-,11-5+,14-12+
InChIKeyCWSJJBUODUCJQW-OYIWAQKHSA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
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

3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
CID 91250232
3-[[2-(2-Fluoropropan-2-yl)-4,6,7-trimethylcyclohepta-1,3,6-trien-1-yl]methylidene]hexan-2-imine
CID 91334136
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
(3Z,5Z)-1,1,1-trifluoro-3-methylhepta-3,5-dien-2-imine
CID 118102417
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
4-Ethyl-5-fluorohepta-4,6-dien-3-imine
CID 123295188
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123318040

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine?
The IUPAC name of (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine (CID 135254636) is (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine.
What is the SMILES notation for (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine?
The canonical SMILES for (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine is [H]N=C(C=C(C)C)C(/C=C\C(=C)F)=C/C.
What is the InChIKey of (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine?
The InChIKey is CWSJJBUODUCJQW-OYIWAQKHSA-N. The full InChI is InChI=1S/C12H16FN/c1-5-11(7-6-10(4)13)12(14)8-9(2)3/h5-8,14H,4H2,1-3H3/b7-6-,11-5+,14-12+.
What are the key properties of (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine?
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine has a molecular weight of 193.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine is sourced from PubChem (CID 135254636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).