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

C10H14F2O — CID 123500113

IUPAC7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC2CCCOC2C(F)C1F
InChIInChI=1S/C10H14F2O/c1-6-5-7-3-2-4-13-10(7)9(12)8(6)11/h7-10H,1-5H2
InChIKeySFFUHTJMTUODSC-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.42
Rot. Bonds

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

7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (PubChem CID 123500113) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
PubChem CID123500113
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC2CCCOC2C(F)C1F
InChIInChI=1S/C10H14F2O/c1-6-5-7-3-2-4-13-10(7)9(12)8(6)11/h7-10H,1-5H2
InChIKeySFFUHTJMTUODSC-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.42
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

6-Fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 90730453
8-Fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123177508
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
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-Methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 123144803
(4aR,8aS)-3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 131846407

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The IUPAC name of 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (CID 123500113) is 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.
What is the SMILES notation for 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The canonical SMILES for 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is C=C1CC2CCCOC2C(F)C1F.
What is the InChIKey of 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The InChIKey is SFFUHTJMTUODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-6-5-7-3-2-4-13-10(7)9(12)8(6)11/h7-10H,1-5H2.
What are the key properties of 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene has a molecular weight of 188.22 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is sourced from PubChem (CID 123500113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).