3-[2,3-bis(trifluoromethyl)phenyl]furan

C12H6F6O — CID 141204161

IUPAC3-[2,3-bis(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cccc(-c2ccoc2)c1C(F)(F)F
InChIInChI=1S/C12H6F6O/c13-11(14,15)9-3-1-2-8(7-4-5-19-6-7)10(9)12(16,17)18/h1-6H
InChIKeyGUHSRFFSVKDHDA-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.98
Rot. Bonds1

About 3-[2,3-bis(trifluoromethyl)phenyl]furan

3-[2,3-bis(trifluoromethyl)phenyl]furan (PubChem CID 141204161) has the molecular formula C12H6F6O and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-[2,3-bis(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name3-[2,3-bis(trifluoromethyl)phenyl]furan
PubChem CID141204161
Molecular FormulaC12H6F6O
Molecular Weight280.17 g/mol
Exact Mass280.03
IUPAC Name3-[2,3-bis(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cccc(-c2ccoc2)c1C(F)(F)F
InChIInChI=1S/C12H6F6O/c13-11(14,15)9-3-1-2-8(7-4-5-19-6-7)10(9)12(16,17)18/h1-6H
InChIKeyGUHSRFFSVKDHDA-UHFFFAOYSA-N
XLogP4.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(trifluoromethyl)phenyl]furan?
The IUPAC name of 3-[2,3-bis(trifluoromethyl)phenyl]furan (CID 141204161) is 3-[2,3-bis(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 3-[2,3-bis(trifluoromethyl)phenyl]furan?
The canonical SMILES for 3-[2,3-bis(trifluoromethyl)phenyl]furan is FC(F)(F)c1cccc(-c2ccoc2)c1C(F)(F)F.
What is the InChIKey of 3-[2,3-bis(trifluoromethyl)phenyl]furan?
The InChIKey is GUHSRFFSVKDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6O/c13-11(14,15)9-3-1-2-8(7-4-5-19-6-7)10(9)12(16,17)18/h1-6H.
What are the key properties of 3-[2,3-bis(trifluoromethyl)phenyl]furan?
3-[2,3-bis(trifluoromethyl)phenyl]furan has a molecular weight of 280.17 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 141204161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).