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

C10H15FO — CID 123730573

IUPAC7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC2CCCOC2CC1F
InChIInChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h8-10H,1-6H2
InChIKeyRHKUXMXFZCZFMO-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.47
Rot. Bonds

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

7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (PubChem CID 123730573) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.

Molecular Properties

Compound Name7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
PubChem CID123730573
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
SMILESC=C1CC2CCCOC2CC1F
InChIInChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h8-10H,1-6H2
InChIKeyRHKUXMXFZCZFMO-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

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
7,8-Difluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene
CID 123500113
3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 14437955
3-Methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 23391646
(4aR,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 59914930
(4aS,8aR)-3-methyl-2-methylidene-3,4,4a,5,6,7,8,8a-octahydrochromene
CID 59914933
2-Methylidene-1,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[c]chromene
CID 91128535
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-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The IUPAC name of 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene (CID 123730573) is 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene.
What is the SMILES notation for 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The canonical SMILES for 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is C=C1CC2CCCOC2CC1F.
What is the InChIKey of 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
The InChIKey is RHKUXMXFZCZFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h8-10H,1-6H2.
What are the key properties of 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene?
7-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 7-fluoro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydrochromene is sourced from PubChem (CID 123730573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).