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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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).