8-fluorocyclohepta[b]furan-2-one

C9H5FO2 — CID 86188455

IUPAC8-fluorocyclohepta[b]furan-2-one
SMILESO=c1cc2ccccc(F)c-2o1
InChIInChI=1S/C9H5FO2/c10-7-4-2-1-3-6-5-8(11)12-9(6)7/h1-5H
InChIKeyYYZDEGHCGVCVFQ-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.88
Rot. Bonds

About 8-fluorocyclohepta[b]furan-2-one

8-fluorocyclohepta[b]furan-2-one (PubChem CID 86188455) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 8-fluorocyclohepta[b]furan-2-one.

Molecular Properties

Compound Name8-fluorocyclohepta[b]furan-2-one
PubChem CID86188455
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name8-fluorocyclohepta[b]furan-2-one
SMILESO=c1cc2ccccc(F)c-2o1
InChIInChI=1S/C9H5FO2/c10-7-4-2-1-3-6-5-8(11)12-9(6)7/h1-5H
InChIKeyYYZDEGHCGVCVFQ-UHFFFAOYSA-N
XLogP1.88
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23003309
6-fluoro-4-[2-(2-fluorophenyl)ethyl]chromen-2-one
CID 100959807
6-methyl-4,5-diphenylpyran-2-one
CID 71359580
2-(2-fluorophenyl)-6-phenylbenzo[h]chromen-4-one
CID 71376512
6-fluoro-4-phenyl-1H-pyridin-2-one
CID 130912749
5-(2-fluoro-4-methylsulfinylphenyl)-2,2-dimethyl-4-phenylfuran-3-one
CID 18385736

Frequently Asked Questions

What is the IUPAC name of 8-fluorocyclohepta[b]furan-2-one?
The IUPAC name of 8-fluorocyclohepta[b]furan-2-one (CID 86188455) is 8-fluorocyclohepta[b]furan-2-one.
What is the SMILES notation for 8-fluorocyclohepta[b]furan-2-one?
The canonical SMILES for 8-fluorocyclohepta[b]furan-2-one is O=c1cc2ccccc(F)c-2o1.
What is the InChIKey of 8-fluorocyclohepta[b]furan-2-one?
The InChIKey is YYZDEGHCGVCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-7-4-2-1-3-6-5-8(11)12-9(6)7/h1-5H.
What are the key properties of 8-fluorocyclohepta[b]furan-2-one?
8-fluorocyclohepta[b]furan-2-one has a molecular weight of 164.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorocyclohepta[b]furan-2-one is sourced from PubChem (CID 86188455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).