2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan

C13H8F6O2 — CID 168528176

IUPAC2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)COc1ccc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C13H8F6O2/c14-12(15,16)7-21-11-4-3-8(13(17,18)19)6-9(11)10-2-1-5-20-10/h1-6H,7H2
InChIKeyYIXRWDWHYWINDK-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.91
Rot. Bonds3

About 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan

2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan (PubChem CID 168528176) has the molecular formula C13H8F6O2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
PubChem CID168528176
Molecular FormulaC13H8F6O2
Molecular Weight310.19 g/mol
Exact Mass310.04
IUPAC Name2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)COc1ccc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C13H8F6O2/c14-12(15,16)7-21-11-4-3-8(13(17,18)19)6-9(11)10-2-1-5-20-10/h1-6H,7H2
InChIKeyYIXRWDWHYWINDK-UHFFFAOYSA-N
XLogP4.91
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524965
2-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168525850
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524769
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
2-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]furan
CID 168527002
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
CID 168524729
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 168525964
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168524801
2-(5-bromo-2-ethoxyphenyl)furan
CID 168526403
2-(2-ethoxyphenyl)furan
CID 168524531
bis[3-[[3-(furan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]pentoxy]phenyl]methylamino]propoxy]-oxophosphanium
CID 90181603

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan (CID 168528176) is 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan is FC(F)(F)COc1ccc(C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan?
The InChIKey is YIXRWDWHYWINDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6O2/c14-12(15,16)7-21-11-4-3-8(13(17,18)19)6-9(11)10-2-1-5-20-10/h1-6H,7H2.
What are the key properties of 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan?
2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan has a molecular weight of 310.19 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168528176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).