6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene

C10H15FO — CID 90730453

IUPAC6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
SMILESC=C1CC(F)CC2CCCOC12
InChIInChI=1S/C10H15FO/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10H,1-6H2
InChIKeySOJOPMITDWWUCX-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.47
Rot. Bonds

About 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene

6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene (PubChem CID 90730453) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene.

Molecular Properties

Compound Name6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
PubChem CID90730453
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
SMILESC=C1CC(F)CC2CCCOC12
InChIInChI=1S/C10H15FO/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10H,1-6H2
InChIKeySOJOPMITDWWUCX-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene with MolForge

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Related Compounds

8-Fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123177508
7,8-Difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123500113
7-Fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123730573
3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 14437955
(2R,4aS,8aR)-2-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 101840402
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
6-Methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 91184141
7-Methylidene-2,3,4,4a,5,6,8,8a-octahydrochromene
CID 91315177
2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene
CID 91450704
(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 131846407

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene?
The IUPAC name of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene (CID 90730453) is 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene.
What is the SMILES notation for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene?
The canonical SMILES for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene is C=C1CC(F)CC2CCCOC12.
What is the InChIKey of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene?
The InChIKey is SOJOPMITDWWUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h8-10H,1-6H2.
What are the key properties of 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene?
6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene has a molecular weight of 170.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene is sourced from PubChem (CID 90730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).