6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene

C10H11FO — CID 70305231

IUPAC6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene
SMILESC=C1CCOC2C=CC(F)=CC12
InChIInChI=1S/C10H11FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6,9-10H,1,4-5H2
InChIKeyOXQMHEJBYOSJAY-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.37
Rot. Bonds

About 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene

6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene (PubChem CID 70305231) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene.

Molecular Properties

Compound Name6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene
PubChem CID70305231
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene
SMILESC=C1CCOC2C=CC(F)=CC12
InChIInChI=1S/C10H11FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6,9-10H,1,4-5H2
InChIKeyOXQMHEJBYOSJAY-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene?
The IUPAC name of 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene (CID 70305231) is 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene.
What is the SMILES notation for 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene?
The canonical SMILES for 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene is C=C1CCOC2C=CC(F)=CC12.
What is the InChIKey of 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene?
The InChIKey is OXQMHEJBYOSJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-7-4-5-12-10-3-2-8(11)6-9(7)10/h2-3,6,9-10H,1,4-5H2.
What are the key properties of 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene?
6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene has a molecular weight of 166.19 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methylidene-2,3,4a,8a-tetrahydrochromene is sourced from PubChem (CID 70305231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).