2,2-difluoroethyl 2-fluoropropanoate

C5H7F3O2 — CID 141498564

IUPAC2,2-difluoroethyl 2-fluoropropanoate
SMILESCC(F)C(=O)OCC(F)F
InChIInChI=1S/C5H7F3O2/c1-3(6)5(9)10-2-4(7)8/h3-4H,2H2,1H3
InChIKeyXSPJCCRKSOWSTJ-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.15
Rot. Bonds3

About 2,2-difluoroethyl 2-fluoropropanoate

2,2-difluoroethyl 2-fluoropropanoate (PubChem CID 141498564) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-fluoropropanoate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-fluoropropanoate
PubChem CID141498564
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name2,2-difluoroethyl 2-fluoropropanoate
SMILESCC(F)C(=O)OCC(F)F
InChIInChI=1S/C5H7F3O2/c1-3(6)5(9)10-2-4(7)8/h3-4H,2H2,1H3
InChIKeyXSPJCCRKSOWSTJ-UHFFFAOYSA-N
XLogP1.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoroethyl 2-methylpropanoate
CID 87205519
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
2,2-difluoroethoxy-methoxycarbonyl-oxophosphanium
CID 130463713
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
(2R)-N-(2,2-difluoroethoxy)-2-hydroxypropanamide
CID 131206655
2-fluorobutyl 2-methoxypropanoate
CID 88537574
(2S)-2-fluoropropanamide
CID 129374964
tert-butyl 2-fluoropropanoate
CID 91554233
trifluoromethyl 2-fluoropropanoate
CID 126635608
2,2-difluoroethyl ethenyl carbonate
CID 87091206
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
ethane-1,2-diol;2-fluoropropanamide
CID 175562566

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-fluoropropanoate?
The IUPAC name of 2,2-difluoroethyl 2-fluoropropanoate (CID 141498564) is 2,2-difluoroethyl 2-fluoropropanoate.
What is the SMILES notation for 2,2-difluoroethyl 2-fluoropropanoate?
The canonical SMILES for 2,2-difluoroethyl 2-fluoropropanoate is CC(F)C(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl 2-fluoropropanoate?
The InChIKey is XSPJCCRKSOWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-3(6)5(9)10-2-4(7)8/h3-4H,2H2,1H3.
What are the key properties of 2,2-difluoroethyl 2-fluoropropanoate?
2,2-difluoroethyl 2-fluoropropanoate has a molecular weight of 156.10 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-fluoropropanoate is sourced from PubChem (CID 141498564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).