3-[2,4-bis(trifluoromethyl)phenyl]furan

C12H6F6O — CID 141204154

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1ccc(-c2ccoc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F6O/c13-11(14,15)8-1-2-9(7-3-4-19-6-7)10(5-8)12(16,17)18/h1-6H
InChIKeyBWZBAFPTZPIYTJ-UHFFFAOYSA-N
MW280.17 g/mol
LogP4.98
Rot. Bonds1

About 3-[2,4-bis(trifluoromethyl)phenyl]furan

3-[2,4-bis(trifluoromethyl)phenyl]furan (PubChem CID 141204154) has the molecular formula C12H6F6O and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]furan
PubChem CID141204154
Molecular FormulaC12H6F6O
Molecular Weight280.17 g/mol
Exact Mass280.03
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1ccc(-c2ccoc2)c(C(F)(F)F)c1
InChIInChI=1S/C12H6F6O/c13-11(14,15)8-1-2-9(7-3-4-19-6-7)10(5-8)12(16,17)18/h1-6H
InChIKeyBWZBAFPTZPIYTJ-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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Related Compounds

1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
3-[2,3-bis(trifluoromethyl)phenyl]furan
CID 141204161
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
3-(furan-3-yl)-5-(trifluoromethyl)aniline
CID 165490108
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
1-(4-bromo-3-methylphenyl)-2,4-bis(trifluoromethyl)benzene
CID 164892534
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
CID 134473360
1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene
CID 161467485
2-ethyl-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 91236381
5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
CID 141155968
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402103

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]furan?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]furan (CID 141204154) is 3-[2,4-bis(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]furan?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]furan is FC(F)(F)c1ccc(-c2ccoc2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]furan?
The InChIKey is BWZBAFPTZPIYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6O/c13-11(14,15)8-1-2-9(7-3-4-19-6-7)10(5-8)12(16,17)18/h1-6H.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]furan?
3-[2,4-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-[2,4-bis(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 141204154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).