4-fluorocyclohepta[b]furan-2-one

C9H5FO2 — CID 86188446

IUPAC4-fluorocyclohepta[b]furan-2-one
SMILESO=c1cc2c(F)ccccc-2o1
InChIInChI=1S/C9H5FO2/c10-7-3-1-2-4-8-6(7)5-9(11)12-8/h1-5H
InChIKeyJMKIHSXSMKTQEO-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.88
Rot. Bonds

About 4-fluorocyclohepta[b]furan-2-one

4-fluorocyclohepta[b]furan-2-one (PubChem CID 86188446) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 4-fluorocyclohepta[b]furan-2-one.

Molecular Properties

Compound Name4-fluorocyclohepta[b]furan-2-one
PubChem CID86188446
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name4-fluorocyclohepta[b]furan-2-one
SMILESO=c1cc2c(F)ccccc-2o1
InChIInChI=1S/C9H5FO2/c10-7-3-1-2-4-8-6(7)5-9(11)12-8/h1-5H
InChIKeyJMKIHSXSMKTQEO-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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Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohepta[b]furan-2-one?
The IUPAC name of 4-fluorocyclohepta[b]furan-2-one (CID 86188446) is 4-fluorocyclohepta[b]furan-2-one.
What is the SMILES notation for 4-fluorocyclohepta[b]furan-2-one?
The canonical SMILES for 4-fluorocyclohepta[b]furan-2-one is O=c1cc2c(F)ccccc-2o1.
What is the InChIKey of 4-fluorocyclohepta[b]furan-2-one?
The InChIKey is JMKIHSXSMKTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-7-3-1-2-4-8-6(7)5-9(11)12-8/h1-5H.
What are the key properties of 4-fluorocyclohepta[b]furan-2-one?
4-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 4-fluorocyclohepta[b]furan-2-one is sourced from PubChem (CID 86188446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).