difluoromethyl carbonofluoridate

C2HF3O2 — CID 12713324

IUPACdifluoromethyl carbonofluoridate
SMILESO=C(F)OC(F)F
InChIInChI=1S/C2HF3O2/c3-1(4)7-2(5)6/h1H
InChIKeyUCQFBVPLLDORTD-UHFFFAOYSA-N
MW114.02 g/mol
LogP1.32
Rot. Bonds1

About difluoromethyl carbonofluoridate

difluoromethyl carbonofluoridate (PubChem CID 12713324) has the molecular formula C2HF3O2 and a molecular weight of 114.02 g/mol. Its IUPAC name is difluoromethyl carbonofluoridate.

Molecular Properties

Compound Namedifluoromethyl carbonofluoridate
PubChem CID12713324
Molecular FormulaC2HF3O2
Molecular Weight114.02 g/mol
Exact Mass113.99
IUPAC Namedifluoromethyl carbonofluoridate
SMILESO=C(F)OC(F)F
InChIInChI=1S/C2HF3O2/c3-1(4)7-2(5)6/h1H
InChIKeyUCQFBVPLLDORTD-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.02
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

Formic acid difluoromethyl ester
CID 17803411
Trifluoromethyl formate
CID 12723117
Fluoromethyl carbonofluoridate
CID 10887833
Carbon dioxide;fluoroform
CID 86210968
Carbon dioxide;difluoromethane
CID 86210984
Carbonic acid difluoromethylfluoromethyl ester
CID 87314252
Carbon dioxide;difluoromethoxy(difluoro)methane
CID 88791514
Fluoroform;carbonate
CID 21263665
Trifluoromethoxymethanone
CID 140801476
Difluoromethyl fluoro carbonate
CID 175146613
CID 101159314
CID 101159314
CID 102256301
CID 102256301

Frequently Asked Questions

What is the IUPAC name of difluoromethyl carbonofluoridate?
The IUPAC name of difluoromethyl carbonofluoridate (CID 12713324) is difluoromethyl carbonofluoridate.
What is the SMILES notation for difluoromethyl carbonofluoridate?
The canonical SMILES for difluoromethyl carbonofluoridate is O=C(F)OC(F)F.
What is the InChIKey of difluoromethyl carbonofluoridate?
The InChIKey is UCQFBVPLLDORTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2/c3-1(4)7-2(5)6/h1H.
What are the key properties of difluoromethyl carbonofluoridate?
difluoromethyl carbonofluoridate has a molecular weight of 114.02 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl carbonofluoridate is sourced from PubChem (CID 12713324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).