3-(2,6-difluorophenyl)furan

C10H6F2O — CID 76539731

IUPAC3-(2,6-difluorophenyl)furan
SMILESFc1cccc(F)c1-c1ccoc1
InChIInChI=1S/C10H6F2O/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-6H
InChIKeyCRSLBVMFIQARRT-UHFFFAOYSA-N
MW180.15 g/mol
LogP3.22
Rot. Bonds1

About 3-(2,6-difluorophenyl)furan

3-(2,6-difluorophenyl)furan (PubChem CID 76539731) has the molecular formula C10H6F2O and a molecular weight of 180.15 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)furan.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)furan
PubChem CID76539731
Molecular FormulaC10H6F2O
Molecular Weight180.15 g/mol
Exact Mass180.04
IUPAC Name3-(2,6-difluorophenyl)furan
SMILESFc1cccc(F)c1-c1ccoc1
InChIInChI=1S/C10H6F2O/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-6H
InChIKeyCRSLBVMFIQARRT-UHFFFAOYSA-N
XLogP3.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)furan?
The IUPAC name of 3-(2,6-difluorophenyl)furan (CID 76539731) is 3-(2,6-difluorophenyl)furan.
What is the SMILES notation for 3-(2,6-difluorophenyl)furan?
The canonical SMILES for 3-(2,6-difluorophenyl)furan is Fc1cccc(F)c1-c1ccoc1.
What is the InChIKey of 3-(2,6-difluorophenyl)furan?
The InChIKey is CRSLBVMFIQARRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O/c11-8-2-1-3-9(12)10(8)7-4-5-13-6-7/h1-6H.
What are the key properties of 3-(2,6-difluorophenyl)furan?
3-(2,6-difluorophenyl)furan has a molecular weight of 180.15 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)furan is sourced from PubChem (CID 76539731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).