2,3-difluoropropyl hydrogen carbonate

C4H6F2O3 — CID 87654501

IUPAC2,3-difluoropropyl hydrogen carbonate
SMILESO=C(O)OCC(F)CF
InChIInChI=1S/C4H6F2O3/c5-1-3(6)2-9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyJCEPEGWIVBEDMP-UHFFFAOYSA-N
MW140.08 g/mol
LogP0.99
Rot. Bonds3

About 2,3-difluoropropyl hydrogen carbonate

2,3-difluoropropyl hydrogen carbonate (PubChem CID 87654501) has the molecular formula C4H6F2O3 and a molecular weight of 140.08 g/mol. Its IUPAC name is 2,3-difluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name2,3-difluoropropyl hydrogen carbonate
PubChem CID87654501
Molecular FormulaC4H6F2O3
Molecular Weight140.08 g/mol
Exact Mass140.03
IUPAC Name2,3-difluoropropyl hydrogen carbonate
SMILESO=C(O)OCC(F)CF
InChIInChI=1S/C4H6F2O3/c5-1-3(6)2-9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyJCEPEGWIVBEDMP-UHFFFAOYSA-N
XLogP0.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoropropyl hydrogen carbonate?
The IUPAC name of 2,3-difluoropropyl hydrogen carbonate (CID 87654501) is 2,3-difluoropropyl hydrogen carbonate.
What is the SMILES notation for 2,3-difluoropropyl hydrogen carbonate?
The canonical SMILES for 2,3-difluoropropyl hydrogen carbonate is O=C(O)OCC(F)CF.
What is the InChIKey of 2,3-difluoropropyl hydrogen carbonate?
The InChIKey is JCEPEGWIVBEDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3/c5-1-3(6)2-9-4(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 2,3-difluoropropyl hydrogen carbonate?
2,3-difluoropropyl hydrogen carbonate has a molecular weight of 140.08 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropropyl hydrogen carbonate is sourced from PubChem (CID 87654501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).