(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine

C17H26FN — CID 101404446

IUPAC(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
SMILESCCC(/C=C/C(C)=C/C=C/C(C)=C(F)/C=N/C)CC
InChIInChI=1S/C17H26FN/c1-6-16(7-2)12-11-14(3)9-8-10-15(4)17(18)13-19-5/h8-13,16H,6-7H2,1-5H3/b10-8+,12-11+,14-9+,17-15-,19-13+
InChIKeyFAKKHMAIQQDCFD-MBOJYYAMSA-N
MW263.40 g/mol
LogP5.43
Rot. Bonds7

About (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine

(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine (PubChem CID 101404446) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
PubChem CID101404446
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine
SMILESCCC(/C=C/C(C)=C/C=C/C(C)=C(F)/C=N/C)CC
InChIInChI=1S/C17H26FN/c1-6-16(7-2)12-11-14(3)9-8-10-15(4)17(18)13-19-5/h8-13,16H,6-7H2,1-5H3/b10-8+,12-11+,14-9+,17-15-,19-13+
InChIKeyFAKKHMAIQQDCFD-MBOJYYAMSA-N
XLogP5.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.40
LogP ≤ 55.43
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 (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
4-butan-2-yl-3-[(Z)-3-fluoro-2-methylbut-1-enyl]-2H-pyrrole
CID 146499188
(Z)-N-ethyl-2-(2-fluoropropan-2-yl)-3-(5-methylcyclohexa-2,4-dien-1-yl)but-2-en-1-imine
CID 156099727
(2Z)-4-fluoro-N-methyl-3-propan-2-ylpenta-2,4-dien-1-imine
CID 166786093
(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
CID 169645766
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhepta-2,4-dien-1-imine
CID 170194966
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
(2Z,6Z)-2-fluoro-N,3-dimethyl-4,5-dimethylideneocta-2,6-dien-1-imine
CID 144036268
(2E,4Z)-3-(2-methylbutan-2-yl)-N-(trifluoromethyl)hepta-2,4-dien-1-imine
CID 162545582

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine (CID 101404446) is (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine is CCC(/C=C/C(C)=C/C=C/C(C)=C(F)/C=N/C)CC.
What is the InChIKey of (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine?
The InChIKey is FAKKHMAIQQDCFD-MBOJYYAMSA-N. The full InChI is InChI=1S/C17H26FN/c1-6-16(7-2)12-11-14(3)9-8-10-15(4)17(18)13-19-5/h8-13,16H,6-7H2,1-5H3/b10-8+,12-11+,14-9+,17-15-,19-13+.
What are the key properties of (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine?
(2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine has a molecular weight of 263.40 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E)-10-ethyl-2-fluoro-N,3,7-trimethyldodeca-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 101404446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).