2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan

C17H8F6O2 — CID 168528480

IUPAC2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan
SMILESFc1ccc(-c2ccco2)cc1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C17H8F6O2/c18-11-4-3-9(14-2-1-5-24-14)6-15(11)25-16-12(19)7-10(8-13(16)20)17(21,22)23/h1-8H
InChIKeyZBHCMQILESLAIM-UHFFFAOYSA-N
MW358.24 g/mol
LogP6.18
Rot. Bonds3

About 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan

2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan (PubChem CID 168528480) has the molecular formula C17H8F6O2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan.

Molecular Properties

Compound Name2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan
PubChem CID168528480
Molecular FormulaC17H8F6O2
Molecular Weight358.24 g/mol
Exact Mass358.04
IUPAC Name2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan
SMILESFc1ccc(-c2ccco2)cc1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C17H8F6O2/c18-11-4-3-9(14-2-1-5-24-14)6-15(11)25-16-12(19)7-10(8-13(16)20)17(21,22)23/h1-8H
InChIKeyZBHCMQILESLAIM-UHFFFAOYSA-N
XLogP6.18
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
CID 168528467
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241
2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
1,3-difluoro-2-(2-fluoro-5-isocyanatophenoxy)-5-(trifluoromethyl)benzene
CID 169355662
3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168527041
2-(2-bromo-3-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337177
2-[4-methoxy-3-(trifluoromethoxy)phenyl]furan
CID 168525465
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
2-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168525850
2-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]furan
CID 168527002
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan
CID 90729865

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan?
The IUPAC name of 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan (CID 168528480) is 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan.
What is the SMILES notation for 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan?
The canonical SMILES for 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan is Fc1ccc(-c2ccco2)cc1Oc1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan?
The InChIKey is ZBHCMQILESLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F6O2/c18-11-4-3-9(14-2-1-5-24-14)6-15(11)25-16-12(19)7-10(8-13(16)20)17(21,22)23/h1-8H.
What are the key properties of 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan?
2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan has a molecular weight of 358.24 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]furan is sourced from PubChem (CID 168528480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).