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

C10H15FO — CID 123177508

IUPAC8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC(F)C2OCCCC2C1
InChIInChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h8-10H,1-6H2
InChIKeyMZQBQYUBIGSWQL-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.47
Rot. Bonds

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

8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (PubChem CID 123177508) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
PubChem CID123177508
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC(F)C2OCCCC2C1
InChIInChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h8-10H,1-6H2
InChIKeyMZQBQYUBIGSWQL-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'}

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Related Compounds

(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene
CID 13462494
(4aS,7S,7aS)-6-methylidene-7-pentylsulfanyl-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyran
CID 10911664
(2S,3R)-3-fluoro-2-phenyloxane
CID 102315049
3,10-dioxatricyclo[7.3.1.02,7]tridecane
CID 169492968
(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
CID 139878669
(3aS,4S,7aR)-2-methylidene-1,3,3a,4,5,6,7,7a-octahydroinden-4-ol
CID 130977949
(3aR,6aS)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-ide;bis(yttrium)
CID 162412287
(3aR,7aS)-3,3a,4,5,6,7a-hexahydrofuro[2,3-b]pyran-2-one
CID 11788349
8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 176780580
2-cyclopentyl-3-methylideneoxolane
CID 88988813
2-(oxan-3-yl)oxan-3-amine
CID 79364685
6-bromo-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromen-5-amine
CID 123529544

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The IUPAC name of 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (CID 123177508) is 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.
What is the SMILES notation for 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The canonical SMILES for 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is C=C1CC(F)C2OCCCC2C1.
What is the InChIKey of 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The InChIKey is MZQBQYUBIGSWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h8-10H,1-6H2.
What are the key properties of 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-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 8-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is sourced from PubChem (CID 123177508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).