2,2-difluoropropyl carbonate

C4H5F2O3- — CID 154063128

IUPAC2,2-difluoropropyl carbonate
SMILESCC(F)(F)COC(=O)[O-]
InChIInChI=1S/C4H6F2O3/c1-4(5,6)2-9-3(7)8/h2H2,1H3,(H,7,8)/p-1
InChIKeyOFXXZILWOWJUKL-UHFFFAOYSA-M
MW139.08 g/mol
LogP0.00
Rot. Bonds2

About 2,2-difluoropropyl carbonate

2,2-difluoropropyl carbonate (PubChem CID 154063128) has the molecular formula C4H5F2O3- and a molecular weight of 139.08 g/mol. Its IUPAC name is 2,2-difluoropropyl carbonate.

Molecular Properties

Compound Name2,2-difluoropropyl carbonate
PubChem CID154063128
Molecular FormulaC4H5F2O3-
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name2,2-difluoropropyl carbonate
SMILESCC(F)(F)COC(=O)[O-]
InChIInChI=1S/C4H6F2O3/c1-4(5,6)2-9-3(7)8/h2H2,1H3,(H,7,8)/p-1
InChIKeyOFXXZILWOWJUKL-UHFFFAOYSA-M
XLogP0.00
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
methyl N-[[2-(2,2-difluoropropoxy)ethoxycarbonylamino]methyl]carbamate
CID 91196206
3,3-difluorobutanoate;fluoromethane;hydron;methane
CID 159265772
2,2-dimethylbutyl 3,3,3-trifluoropropanoate
CID 140839252
2,2-dichloropropyl carbamate
CID 146611343
magnesium propyl carbonate
CID 22154995
sodium methoxymethyl carbonate
CID 139846012
(3-acetyloxy-2,2-difluoropropyl) acetate
CID 59792531
lithium 2-methoxyethyl carbonate
CID 139846001
calcium propyl carbonate
CID 158672692
2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864
2,2-difluoropropyl 4-methyl-2-(2-methylprop-2-enoyloxy)pentanoate
CID 89308639

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl carbonate?
The IUPAC name of 2,2-difluoropropyl carbonate (CID 154063128) is 2,2-difluoropropyl carbonate.
What is the SMILES notation for 2,2-difluoropropyl carbonate?
The canonical SMILES for 2,2-difluoropropyl carbonate is CC(F)(F)COC(=O)[O-].
What is the InChIKey of 2,2-difluoropropyl carbonate?
The InChIKey is OFXXZILWOWJUKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6F2O3/c1-4(5,6)2-9-3(7)8/h2H2,1H3,(H,7,8)/p-1.
What are the key properties of 2,2-difluoropropyl carbonate?
2,2-difluoropropyl carbonate has a molecular weight of 139.08 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl carbonate is sourced from PubChem (CID 154063128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).