(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine

C16H28FN — CID 143491167

IUPAC(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
SMILESC/C=C\C(F)=C/C(C)C(CC)/C(CCCC)=N/C
InChIInChI=1S/C16H28FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7-,14-12+,18-16+
InChIKeyATRORXOEKGXEMM-GHTCGNQISA-N
MW253.41 g/mol
LogP5.34
Rot. Bonds8

About (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine

(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine (PubChem CID 143491167) has the molecular formula C16H28FN and a molecular weight of 253.41 g/mol. Its IUPAC name is (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine.

Molecular Properties

Compound Name(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
PubChem CID143491167
Molecular FormulaC16H28FN
Molecular Weight253.41 g/mol
Exact Mass253.22
IUPAC Name(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
SMILESC/C=C\C(F)=C/C(C)C(CC)/C(CCCC)=N/C
InChIInChI=1S/C16H28FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7-,14-12+,18-16+
InChIKeyATRORXOEKGXEMM-GHTCGNQISA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.41
LogP ≤ 55.34
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'}

Analyze (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine with MolForge

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Launch Full Analysis

Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
2-butyl-3-ethyl-6-fluoro-3H-azepine
CID 123565806
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
3-methyl-1-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-8,8a-dihydro-4H-isoquinolin-2-ium
CID 162546686
(5Z,7E)-N-ethyl-8-fluoro-2,4-dimethyl-5-(2-methylbutyl)nona-5,7-dien-3-imine
CID 170260209
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
CID 144526431
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929

Frequently Asked Questions

What is the IUPAC name of (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine?
The IUPAC name of (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine (CID 143491167) is (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine.
What is the SMILES notation for (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine?
The canonical SMILES for (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine is C/C=C\C(F)=C/C(C)C(CC)/C(CCCC)=N/C.
What is the InChIKey of (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine?
The InChIKey is ATRORXOEKGXEMM-GHTCGNQISA-N. The full InChI is InChI=1S/C16H28FN/c1-6-9-11-16(18-5)15(8-3)13(4)12-14(17)10-7-2/h7,10,12-13,15H,6,8-9,11H2,1-5H3/b10-7-,14-12+,18-16+.
What are the key properties of (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine?
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine has a molecular weight of 253.41 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine is sourced from PubChem (CID 143491167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).