1,1,2,2-tetrafluoroethyl hydrogen carbonate

C3H2F4O3 — CID 175341270

IUPAC1,1,2,2-tetrafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F4O3/c4-1(5)3(6,7)10-2(8)9/h1H,(H,8,9)
InChIKeySDUCAXFCNDSLBM-UHFFFAOYSA-N
MW162.04 g/mol
LogP1.54
Rot. Bonds2

About 1,1,2,2-tetrafluoroethyl hydrogen carbonate

1,1,2,2-tetrafluoroethyl hydrogen carbonate (PubChem CID 175341270) has the molecular formula C3H2F4O3 and a molecular weight of 162.04 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethyl hydrogen carbonate
PubChem CID175341270
Molecular FormulaC3H2F4O3
Molecular Weight162.04 g/mol
Exact Mass161.99
IUPAC Name1,1,2,2-tetrafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F4O3/c4-1(5)3(6,7)10-2(8)9/h1H,(H,8,9)
InChIKeySDUCAXFCNDSLBM-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.04
LogP ≤ 51.54
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

2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
1,1-Difluoroethyl hydrogen carbonate
CID 54435782
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
1,2,2-Trifluoroethyl hydrogen carbonate
CID 54516242
1,1,2,3-Tetrafluoropropyl hydrogen carbonate
CID 87246673
1,1,2,2,3-Pentafluoropropyl hydrogen carbonate
CID 87246952
1,1,2,2,2-Pentafluoroethyl hydrogen carbonate
CID 87288890
1,1,2-Trifluoroethyl hydrogen carbonate
CID 87451899
1,1,2,2,3,3-Hexafluoropropyl hydrogen carbonate
CID 88584853
1,1,2,3,3-Pentafluoropropyl hydrogen carbonate
CID 88584967
1,2,2,2-Tetrafluoroethyl hydrogen carbonate
CID 151459908
1,1,3,3-Tetrafluoropropyl hydrogen carbonate
CID 174229639

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethyl hydrogen carbonate?
The IUPAC name of 1,1,2,2-tetrafluoroethyl hydrogen carbonate (CID 175341270) is 1,1,2,2-tetrafluoroethyl hydrogen carbonate.
What is the SMILES notation for 1,1,2,2-tetrafluoroethyl hydrogen carbonate?
The canonical SMILES for 1,1,2,2-tetrafluoroethyl hydrogen carbonate is O=C(O)OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethyl hydrogen carbonate?
The InChIKey is SDUCAXFCNDSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O3/c4-1(5)3(6,7)10-2(8)9/h1H,(H,8,9).
What are the key properties of 1,1,2,2-tetrafluoroethyl hydrogen carbonate?
1,1,2,2-tetrafluoroethyl hydrogen carbonate has a molecular weight of 162.04 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethyl hydrogen carbonate is sourced from PubChem (CID 175341270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).