1,3-difluoropropan-2-yl hydrogen carbonate

C4H6F2O3 — CID 54491748

IUPAC1,3-difluoropropan-2-yl hydrogen carbonate
SMILESO=C(O)OC(CF)CF
InChIInChI=1S/C4H6F2O3/c5-1-3(2-6)9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyXWFLWMBJWFNUQK-UHFFFAOYSA-N
MW140.08 g/mol
LogP0.99
Rot. Bonds3

About 1,3-difluoropropan-2-yl hydrogen carbonate

1,3-difluoropropan-2-yl hydrogen carbonate (PubChem CID 54491748) has the molecular formula C4H6F2O3 and a molecular weight of 140.08 g/mol. Its IUPAC name is 1,3-difluoropropan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1,3-difluoropropan-2-yl hydrogen carbonate
PubChem CID54491748
Molecular FormulaC4H6F2O3
Molecular Weight140.08 g/mol
Exact Mass140.03
IUPAC Name1,3-difluoropropan-2-yl hydrogen carbonate
SMILESO=C(O)OC(CF)CF
InChIInChI=1S/C4H6F2O3/c5-1-3(2-6)9-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyXWFLWMBJWFNUQK-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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Related Compounds

2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
2,3,3-Trifluoropropyl hydrogen carbonate
CID 22169202
(2-Fluorocyclopropyl) hydrogen carbonate
CID 22435345
1,1,1-Trifluorobutan-2-yl hydrogen carbonate
CID 23111929
3,3,3-Trifluoropropyl hydrogen carbonate
CID 23217870
4,4,4-Trifluorobutyl hydrogen carbonate
CID 23442966
1,1,1-Trifluoropropan-2-yl hydrogen carbonate
CID 53705378
1-Fluoropropyl hydrogen carbonate
CID 53750605
3,3,4,4,4-Pentafluorobutan-2-yl hydrogen carbonate
CID 53825482
2-Fluoropropyl hydrogen carbonate
CID 54161759
1-Fluoropropan-2-yl hydrogen carbonate
CID 54192628

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropan-2-yl hydrogen carbonate?
The IUPAC name of 1,3-difluoropropan-2-yl hydrogen carbonate (CID 54491748) is 1,3-difluoropropan-2-yl hydrogen carbonate.
What is the SMILES notation for 1,3-difluoropropan-2-yl hydrogen carbonate?
The canonical SMILES for 1,3-difluoropropan-2-yl hydrogen carbonate is O=C(O)OC(CF)CF.
What is the InChIKey of 1,3-difluoropropan-2-yl hydrogen carbonate?
The InChIKey is XWFLWMBJWFNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3/c5-1-3(2-6)9-4(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 1,3-difluoropropan-2-yl hydrogen carbonate?
1,3-difluoropropan-2-yl 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 1,3-difluoropropan-2-yl hydrogen carbonate is sourced from PubChem (CID 54491748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).