(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine

C15H22FN — CID 143603539

IUPAC(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
SMILES[H]/N=C/C=C(\C)C(C)/C=C(\C)C/C=C/C=C(\C)F
InChIInChI=1S/C15H22FN/c1-12(7-5-6-8-15(4)16)11-14(3)13(2)9-10-17/h5-6,8-11,14,17H,7H2,1-4H3/b6-5+,12-11+,13-9+,15-8+,17-10+
InChIKeyGQLWYULQJXJQSJ-FTHJRQIASA-N
MW235.35 g/mol
LogP4.98
Rot. Bonds6

About (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine

(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine (PubChem CID 143603539) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine.

Molecular Properties

Compound Name(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
PubChem CID143603539
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine
SMILES[H]/N=C/C=C(\C)C(C)/C=C(\C)C/C=C/C=C(\C)F
InChIInChI=1S/C15H22FN/c1-12(7-5-6-8-15(4)16)11-14(3)13(2)9-10-17/h5-6,8-11,14,17H,7H2,1-4H3/b6-5+,12-11+,13-9+,15-8+,17-10+
InChIKeyGQLWYULQJXJQSJ-FTHJRQIASA-N
XLogP4.98
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine with MolForge

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Related Compounds

(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
7,7,7-Trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 91534333
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(Z)-3-fluoro-4-methylhex-2-en-1-imine
CID 123420622
3-[4-(1,1-Difluoroethyl)cyclohepta-1,4,6-trien-1-yl]prop-2-en-1-imine
CID 123811165
(2Z,4Z)-4-propan-2-ylhexa-2,4-dienimidoyl fluoride
CID 138623915
(2Z,4E)-6-fluoro-N-methyl-3-propan-2-ylhexa-2,4-dien-1-imine
CID 139444855
(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine
CID 146580822
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(4-Fluoro-5-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 163700177
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110

Frequently Asked Questions

What is the IUPAC name of (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine?
The IUPAC name of (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine (CID 143603539) is (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine.
What is the SMILES notation for (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine?
The canonical SMILES for (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine is [H]/N=C/C=C(\C)C(C)/C=C(\C)C/C=C/C=C(\C)F.
What is the InChIKey of (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine?
The InChIKey is GQLWYULQJXJQSJ-FTHJRQIASA-N. The full InChI is InChI=1S/C15H22FN/c1-12(7-5-6-8-15(4)16)11-14(3)13(2)9-10-17/h5-6,8-11,14,17H,7H2,1-4H3/b6-5+,12-11+,13-9+,15-8+,17-10+.
What are the key properties of (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine?
(2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine has a molecular weight of 235.35 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,8E,10E)-11-fluoro-3,4,6-trimethyldodeca-2,5,8,10-tetraen-1-imine is sourced from PubChem (CID 143603539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).