8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol

C13H18FNO — CID 91108021

IUPAC8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
SMILESC=C(C=CC(=C)C(C)=C(F)/C=N/CC)CO
InChIInChI=1S/C13H18FNO/c1-5-15-8-13(14)12(4)11(3)7-6-10(2)9-16/h6-8,16H,2-3,5,9H2,1,4H3/b7-6?,13-12?,15-8+
InChIKeyQRQDXMBMEVLHMJ-FBCODHJZSA-N
MW223.29 g/mol
LogP2.98
Rot. Bonds6

About 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol

8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol (PubChem CID 91108021) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol.

Molecular Properties

Compound Name8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
PubChem CID91108021
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
SMILESC=C(C=CC(=C)C(C)=C(F)/C=N/CC)CO
InChIInChI=1S/C13H18FNO/c1-5-15-8-13(14)12(4)11(3)7-6-10(2)9-16/h6-8,16H,2-3,5,9H2,1,4H3/b7-6?,13-12?,15-8+
InChIKeyQRQDXMBMEVLHMJ-FBCODHJZSA-N
XLogP2.98
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The IUPAC name of 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol (CID 91108021) is 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol.
What is the SMILES notation for 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The canonical SMILES for 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol is C=C(C=CC(=C)C(C)=C(F)/C=N/CC)CO.
What is the InChIKey of 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The InChIKey is QRQDXMBMEVLHMJ-FBCODHJZSA-N. The full InChI is InChI=1S/C13H18FNO/c1-5-15-8-13(14)12(4)11(3)7-6-10(2)9-16/h6-8,16H,2-3,5,9H2,1,4H3/b7-6?,13-12?,15-8+.
What are the key properties of 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol is sourced from PubChem (CID 91108021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).