difluoro(trifluoromethoxy)methanol

C2HF5O2 — CID 23212817

IUPACdifluoro(trifluoromethoxy)methanol
SMILESOC(F)(F)OC(F)(F)F
InChIInChI=1S/C2HF5O2/c3-1(4,5)9-2(6,7)8/h8H
InChIKeyYVGRZJZIMYZZDH-UHFFFAOYSA-N
MW152.02 g/mol
LogP1.07
Rot. Bonds1

About difluoro(trifluoromethoxy)methanol

difluoro(trifluoromethoxy)methanol (PubChem CID 23212817) has the molecular formula C2HF5O2 and a molecular weight of 152.02 g/mol. Its IUPAC name is difluoro(trifluoromethoxy)methanol.

Molecular Properties

Compound Namedifluoro(trifluoromethoxy)methanol
PubChem CID23212817
Molecular FormulaC2HF5O2
Molecular Weight152.02 g/mol
Exact Mass151.99
IUPAC Namedifluoro(trifluoromethoxy)methanol
SMILESOC(F)(F)OC(F)(F)F
InChIInChI=1S/C2HF5O2/c3-1(4,5)9-2(6,7)8/h8H
InChIKeyYVGRZJZIMYZZDH-UHFFFAOYSA-N
XLogP1.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.02
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro(trifluoromethoxy)methanol?
The IUPAC name of difluoro(trifluoromethoxy)methanol (CID 23212817) is difluoro(trifluoromethoxy)methanol.
What is the SMILES notation for difluoro(trifluoromethoxy)methanol?
The canonical SMILES for difluoro(trifluoromethoxy)methanol is OC(F)(F)OC(F)(F)F.
What is the InChIKey of difluoro(trifluoromethoxy)methanol?
The InChIKey is YVGRZJZIMYZZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O2/c3-1(4,5)9-2(6,7)8/h8H.
What are the key properties of difluoro(trifluoromethoxy)methanol?
difluoro(trifluoromethoxy)methanol has a molecular weight of 152.02 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(trifluoromethoxy)methanol is sourced from PubChem (CID 23212817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).