2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan

C17H7F7O2 — CID 168528467

IUPAC2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
SMILESFc1cc(-c2ccco2)cc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C17H7F7O2/c18-10-4-8(14-2-1-3-25-14)5-11(19)15(10)26-16-12(20)6-9(7-13(16)21)17(22,23)24/h1-7H
InChIKeyQYKZHMJBNQHHPG-UHFFFAOYSA-N
MW376.23 g/mol
LogP6.31
Rot. Bonds3

About 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan

2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan (PubChem CID 168528467) has the molecular formula C17H7F7O2 and a molecular weight of 376.23 g/mol. Its IUPAC name is 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan.

Molecular Properties

Compound Name2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
PubChem CID168528467
Molecular FormulaC17H7F7O2
Molecular Weight376.23 g/mol
Exact Mass376.03
IUPAC Name2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan
SMILESFc1cc(-c2ccco2)cc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C17H7F7O2/c18-10-4-8(14-2-1-3-25-14)5-11(19)15(10)26-16-12(20)6-9(7-13(16)21)17(22,23)24/h1-7H
InChIKeyQYKZHMJBNQHHPG-UHFFFAOYSA-N
XLogP6.31
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.23
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan?
The IUPAC name of 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan (CID 168528467) is 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan.
What is the SMILES notation for 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan?
The canonical SMILES for 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan is Fc1cc(-c2ccco2)cc(F)c1Oc1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan?
The InChIKey is QYKZHMJBNQHHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F7O2/c18-10-4-8(14-2-1-3-25-14)5-11(19)15(10)26-16-12(20)6-9(7-13(16)21)17(22,23)24/h1-7H.
What are the key properties of 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan?
2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan has a molecular weight of 376.23 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]furan is sourced from PubChem (CID 168528467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).