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

C11H14FNO — CID 90929518

IUPAC7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
SMILES[H]/N=C/C(F)=C(C)C(=C)C=CC(=C)CO
InChIInChI=1S/C11H14FNO/c1-8(7-14)4-5-9(2)10(3)11(12)6-13/h4-6,13-14H,1-2,7H2,3H3/b5-4?,11-10?,13-6+
InChIKeyHXBVVSMVSAQPLF-CECLBAFHSA-N
MW195.24 g/mol
LogP2.54
Rot. Bonds5

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

7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol (PubChem CID 90929518) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol.

Molecular Properties

Compound Name7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
PubChem CID90929518
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
SMILES[H]/N=C/C(F)=C(C)C(=C)C=CC(=C)CO
InChIInChI=1S/C11H14FNO/c1-8(7-14)4-5-9(2)10(3)11(12)6-13/h4-6,13-14H,1-2,7H2,3H3/b5-4?,11-10?,13-6+
InChIKeyHXBVVSMVSAQPLF-CECLBAFHSA-N
XLogP2.54
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

8-Ethylimino-7-fluoro-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol
CID 91108021
(4E,6Z)-4-methanimidoylocta-4,6-dien-3-ol
CID 89771739
(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
(2Z,4E)-4-methanimidoylhexa-2,4-dien-1-ol
CID 131998269
(Z,2E)-2-ethylidene-5-iminopent-3-en-1-ol
CID 137399864
Ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
CID 143193804
(2Z,4E)-4-methanimidoylhepta-2,4,6-trien-1-ol
CID 143723976
(Z,2E)-2-(2-iminoethylidene)pent-3-en-1-ol
CID 156182889
(Z)-6-imino-3-methylidenehex-4-en-2-ol
CID 141796882

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The IUPAC name of 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol (CID 90929518) is 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol.
What is the SMILES notation for 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The canonical SMILES for 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol is [H]/N=C/C(F)=C(C)C(=C)C=CC(=C)CO.
What is the InChIKey of 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
The InChIKey is HXBVVSMVSAQPLF-CECLBAFHSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(7-14)4-5-9(2)10(3)11(12)6-13/h4-6,13-14H,1-2,7H2,3H3/b5-4?,11-10?,13-6+.
What are the key properties of 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol?
7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-imino-6-methyl-2,5-dimethylideneocta-3,6-dien-1-ol is sourced from PubChem (CID 90929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).