difluoromethyl fluoromethyl carbonate

C3H3F3O3 — CID 87314252

IUPACdifluoromethyl fluoromethyl carbonate
SMILESO=C(OCF)OC(F)F
InChIInChI=1S/C3H3F3O3/c4-1-8-3(7)9-2(5)6/h2H,1H2
InChIKeyYRKQVDYTLRQMHO-UHFFFAOYSA-N
MW144.05 g/mol
LogP1.29
Rot. Bonds2

About difluoromethyl fluoromethyl carbonate

difluoromethyl fluoromethyl carbonate (PubChem CID 87314252) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is difluoromethyl fluoromethyl carbonate.

Molecular Properties

Compound Namedifluoromethyl fluoromethyl carbonate
PubChem CID87314252
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Namedifluoromethyl fluoromethyl carbonate
SMILESO=C(OCF)OC(F)F
InChIInChI=1S/C3H3F3O3/c4-1-8-3(7)9-2(5)6/h2H,1H2
InChIKeyYRKQVDYTLRQMHO-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze difluoromethyl fluoromethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanol, 1-fluoro-, 1,1'-carbonate
CID 58325586
Methyl trifluoromethyl carbonate
CID 18179982
Fluoromethanoic acid difluoromethyl ester
CID 12713324
Fluoromethyl trifluoromethyl carbonate
CID 20871002
Trifluoromethoxymethyl formate
CID 54284354
Difluoromethyl methyl carbonate
CID 58421229
Bis(difluoromethyl) carbonate
CID 87079886
Difluoromethyl trifluoromethyl carbonate
CID 87314296
Difluoromethyl fluoro carbonate
CID 175146613

Frequently Asked Questions

What is the IUPAC name of difluoromethyl fluoromethyl carbonate?
The IUPAC name of difluoromethyl fluoromethyl carbonate (CID 87314252) is difluoromethyl fluoromethyl carbonate.
What is the SMILES notation for difluoromethyl fluoromethyl carbonate?
The canonical SMILES for difluoromethyl fluoromethyl carbonate is O=C(OCF)OC(F)F.
What is the InChIKey of difluoromethyl fluoromethyl carbonate?
The InChIKey is YRKQVDYTLRQMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-1-8-3(7)9-2(5)6/h2H,1H2.
What are the key properties of difluoromethyl fluoromethyl carbonate?
difluoromethyl fluoromethyl carbonate has a molecular weight of 144.05 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl fluoromethyl carbonate is sourced from PubChem (CID 87314252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).