2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan

C11H5Cl2F3O — CID 90729865

IUPAC2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(Cl)c(-c2ccco2)c(Cl)c1
InChIInChI=1S/C11H5Cl2F3O/c12-7-4-6(11(14,15)16)5-8(13)10(7)9-2-1-3-17-9/h1-5H
InChIKeyHEPWFDIQHRAXDW-UHFFFAOYSA-N
MW281.06 g/mol
LogP5.27
Rot. Bonds1

About 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan (PubChem CID 90729865) has the molecular formula C11H5Cl2F3O and a molecular weight of 281.06 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
PubChem CID90729865
Molecular FormulaC11H5Cl2F3O
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(Cl)c(-c2ccco2)c(Cl)c1
InChIInChI=1S/C11H5Cl2F3O/c12-7-4-6(11(14,15)16)5-8(13)10(7)9-2-1-3-17-9/h1-5H
InChIKeyHEPWFDIQHRAXDW-UHFFFAOYSA-N
XLogP5.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.06
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan (CID 90729865) is 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan is FC(F)(F)c1cc(Cl)c(-c2ccco2)c(Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan?
The InChIKey is HEPWFDIQHRAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3O/c12-7-4-6(11(14,15)16)5-8(13)10(7)9-2-1-3-17-9/h1-5H.
What are the key properties of 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan?
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan has a molecular weight of 281.06 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 90729865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).