(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine

C11H18FN — CID 146318082

IUPAC(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
SMILES[H]/N=C/C(C)=C(\C)C(F)CCCC=C
InChIInChI=1S/C11H18FN/c1-4-5-6-7-11(12)10(3)9(2)8-13/h4,8,11,13H,1,5-7H2,2-3H3/b10-9+,13-8+
InChIKeyOCTKEQYOLFDMAR-URERACSSSA-N
MW183.27 g/mol
LogP3.67
Rot. Bonds6

About (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine

(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine (PubChem CID 146318082) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine.

Molecular Properties

Compound Name(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
PubChem CID146318082
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
SMILES[H]/N=C/C(C)=C(\C)C(F)CCCC=C
InChIInChI=1S/C11H18FN/c1-4-5-6-7-11(12)10(3)9(2)8-13/h4,8,11,13H,1,5-7H2,2-3H3/b10-9+,13-8+
InChIKeyOCTKEQYOLFDMAR-URERACSSSA-N
XLogP3.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine?
The IUPAC name of (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine (CID 146318082) is (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine.
What is the SMILES notation for (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine?
The canonical SMILES for (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine is [H]/N=C/C(C)=C(\C)C(F)CCCC=C.
What is the InChIKey of (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine?
The InChIKey is OCTKEQYOLFDMAR-URERACSSSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-5-6-7-11(12)10(3)9(2)8-13/h4,8,11,13H,1,5-7H2,2-3H3/b10-9+,13-8+.
What are the key properties of (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine?
(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine has a molecular weight of 183.27 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine is sourced from PubChem (CID 146318082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).