5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol

C9H4F8O2 — CID 134639057

IUPAC5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
SMILESOc1cc(OC(F)F)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F8O2/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7,18H
InChIKeyLFFPIKLNKQIXJT-UHFFFAOYSA-N
MW296.11 g/mol
LogP4.03
Rot. Bonds2

About 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol

5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol (PubChem CID 134639057) has the molecular formula C9H4F8O2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
PubChem CID134639057
Molecular FormulaC9H4F8O2
Molecular Weight296.11 g/mol
Exact Mass296.01
IUPAC Name5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
SMILESOc1cc(OC(F)F)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H4F8O2/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7,18H
InChIKeyLFFPIKLNKQIXJT-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethoxy)-1-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638592
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
1-[5-(difluoromethoxy)-2-methyl-3-(trifluoromethyl)phenyl]ethanone
CID 171032223
1-[2-amino-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034016
5-(hydroxymethyl)-2,3-bis(trifluoromethyl)phenol
CID 134638839
3-hydroxy-4,5-bis(trifluoromethyl)benzoic acid
CID 134639121
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
5-methylsulfanyl-2,3-bis(trifluoromethyl)phenol
CID 134639183
2-[2-cyano-5-(difluoromethoxy)-3-(trifluoromethyl)phenyl]acetic acid
CID 118996135
1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 134628110
1-[5-(difluoromethoxy)-3-ethyl-2-(trifluoromethyl)phenyl]ethanone
CID 171031662
2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol?
The IUPAC name of 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol (CID 134639057) is 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol.
What is the SMILES notation for 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol?
The canonical SMILES for 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol is Oc1cc(OC(F)F)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol?
The InChIKey is LFFPIKLNKQIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F8O2/c10-7(11)19-3-1-4(8(12,13)14)6(5(18)2-3)9(15,16)17/h1-2,7,18H.
What are the key properties of 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol?
5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol has a molecular weight of 296.11 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol is sourced from PubChem (CID 134639057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).