3-fluorodibenzofuran

C12H7FO — CID 5127426

IUPAC3-fluorodibenzofuran
SMILESFc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H7FO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKeyCBVHWGKANITCQP-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.73
Rot. Bonds

About 3-fluorodibenzofuran

3-fluorodibenzofuran (PubChem CID 5127426) has the molecular formula C12H7FO and a molecular weight of 186.18 g/mol. Its IUPAC name is 3-fluorodibenzofuran.

Molecular Properties

Compound Name3-fluorodibenzofuran
PubChem CID5127426
Molecular FormulaC12H7FO
Molecular Weight186.18 g/mol
Exact Mass186.05
IUPAC Name3-fluorodibenzofuran
SMILESFc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C12H7FO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKeyCBVHWGKANITCQP-UHFFFAOYSA-N
XLogP3.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorodibenzofuran?
The IUPAC name of 3-fluorodibenzofuran (CID 5127426) is 3-fluorodibenzofuran.
What is the SMILES notation for 3-fluorodibenzofuran?
The canonical SMILES for 3-fluorodibenzofuran is Fc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-fluorodibenzofuran?
The InChIKey is CBVHWGKANITCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H.
What are the key properties of 3-fluorodibenzofuran?
3-fluorodibenzofuran has a molecular weight of 186.18 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorodibenzofuran is sourced from PubChem (CID 5127426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).