1,2,2,2-tetrafluoroethyl hydrogen carbonate

C3H2F4O3 — CID 151459908

IUPAC1,2,2,2-tetrafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)F
InChIInChI=1S/C3H2F4O3/c4-1(3(5,6)7)10-2(8)9/h1H,(H,8,9)
InChIKeyPIFUUWSPVWUNRR-UHFFFAOYSA-N
MW162.04 g/mol
LogP1.54
Rot. Bonds1

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

1,2,2,2-tetrafluoroethyl hydrogen carbonate (PubChem CID 151459908) has the molecular formula C3H2F4O3 and a molecular weight of 162.04 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethyl hydrogen carbonate
PubChem CID151459908
Molecular FormulaC3H2F4O3
Molecular Weight162.04 g/mol
Exact Mass161.99
IUPAC Name1,2,2,2-tetrafluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)(F)F
InChIInChI=1S/C3H2F4O3/c4-1(3(5,6)7)10-2(8)9/h1H,(H,8,9)
InChIKeyPIFUUWSPVWUNRR-UHFFFAOYSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Related Compounds

2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
2,2-Difluoroethyl hydrogen carbonate
CID 21263419
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
2,2,3,3,3-Pentafluoropropyl hydrogen carbonate
CID 22067642
2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
1,2-Difluoroethyl hydrogen carbonate
CID 53635690
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
1,2,2,3,3-Pentafluoropropyl hydrogen carbonate
CID 54206467
1,1,1,3,3,3-Hexafluoropropan-2-yl hydrogen carbonate
CID 54414330
3,3,4,4-Tetrafluorobutyl hydrogen carbonate
CID 54464764
1,2,2-Trifluoroethyl hydrogen carbonate
CID 54516242
2,2-Difluoroethoxy(difluoro)methanol
CID 57086823

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoroethyl hydrogen carbonate?
The IUPAC name of 1,2,2,2-tetrafluoroethyl hydrogen carbonate (CID 151459908) is 1,2,2,2-tetrafluoroethyl hydrogen carbonate.
What is the SMILES notation for 1,2,2,2-tetrafluoroethyl hydrogen carbonate?
The canonical SMILES for 1,2,2,2-tetrafluoroethyl hydrogen carbonate is O=C(O)OC(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethyl hydrogen carbonate?
The InChIKey is PIFUUWSPVWUNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O3/c4-1(3(5,6)7)10-2(8)9/h1H,(H,8,9).
What are the key properties of 1,2,2,2-tetrafluoroethyl hydrogen carbonate?
1,2,2,2-tetrafluoroethyl hydrogen carbonate has a molecular weight of 162.04 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethyl hydrogen carbonate is sourced from PubChem (CID 151459908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).