2,2,3,3,3-pentafluoropropyl hydrogen carbonate

C4H3F5O3 — CID 22067642

IUPAC2,2,3,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3/c5-3(6,4(7,8)9)1-12-2(10)11/h1H2,(H,10,11)
InChIKeyKJQGGSLFNCHJLN-UHFFFAOYSA-N
MW194.05 g/mol
LogP1.88
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropyl hydrogen carbonate

2,2,3,3,3-pentafluoropropyl hydrogen carbonate (PubChem CID 22067642) has the molecular formula C4H3F5O3 and a molecular weight of 194.05 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropyl hydrogen carbonate
PubChem CID22067642
Molecular FormulaC4H3F5O3
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Name2,2,3,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F5O3/c5-3(6,4(7,8)9)1-12-2(10)11/h1H2,(H,10,11)
InChIKeyKJQGGSLFNCHJLN-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
2(2,2,2-Trifluoroethoxy)perfluoro-2-propanol
CID 3056694
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
3-Fluoropropyl trifluoromethyl carbonate
CID 20870997
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate
CID 22104777
2,3,3-Trifluoropropyl hydrogen carbonate
CID 22169202
2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
3,3,3-Trifluoropropyl hydrogen carbonate
CID 23217870
4,4,4-Trifluorobutyl hydrogen carbonate
CID 23442966
2,2,3,3-Tetrafluorobutyl hydrogen carbonate
CID 53437011

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropyl hydrogen carbonate?
The IUPAC name of 2,2,3,3,3-pentafluoropropyl hydrogen carbonate (CID 22067642) is 2,2,3,3,3-pentafluoropropyl hydrogen carbonate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropyl hydrogen carbonate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropyl hydrogen carbonate is O=C(O)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropyl hydrogen carbonate?
The InChIKey is KJQGGSLFNCHJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3/c5-3(6,4(7,8)9)1-12-2(10)11/h1H2,(H,10,11).
What are the key properties of 2,2,3,3,3-pentafluoropropyl hydrogen carbonate?
2,2,3,3,3-pentafluoropropyl hydrogen carbonate has a molecular weight of 194.05 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropyl hydrogen carbonate is sourced from PubChem (CID 22067642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).