(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene

C10H11FO — CID 69346340

IUPAC(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
SMILESF/C=C1\C=CCC2=C1OCCC2
InChIInChI=1S/C10H11FO/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1,4,7H,2-3,5-6H2/b9-7+
InChIKeyZCHXXPNZBVJTKD-VQHVLOKHSA-N
MW166.20 g/mol
LogP2.86
Rot. Bonds

About (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene

(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene (PubChem CID 69346340) has the molecular formula C10H11FO and a molecular weight of 166.20 g/mol. Its IUPAC name is (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene.

Molecular Properties

Compound Name(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
PubChem CID69346340
Molecular FormulaC10H11FO
Molecular Weight166.20 g/mol
Exact Mass166.08
IUPAC Name(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene
SMILESF/C=C1\C=CCC2=C1OCCC2
InChIInChI=1S/C10H11FO/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1,4,7H,2-3,5-6H2/b9-7+
InChIKeyZCHXXPNZBVJTKD-VQHVLOKHSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene?
The IUPAC name of (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene (CID 69346340) is (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene.
What is the SMILES notation for (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene?
The canonical SMILES for (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene is F/C=C1\C=CCC2=C1OCCC2.
What is the InChIKey of (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene?
The InChIKey is ZCHXXPNZBVJTKD-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H11FO/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1,4,7H,2-3,5-6H2/b9-7+.
What are the key properties of (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene?
(8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene has a molecular weight of 166.20 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(fluoromethylidene)-2,3,4,5-tetrahydrochromene is sourced from PubChem (CID 69346340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).