1,2,2-trifluoroethyl hydrogen carbonate

C3H3F3O3 — CID 54516242

IUPAC1,2,2-trifluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)F
InChIInChI=1S/C3H3F3O3/c4-1(5)2(6)9-3(7)8/h1-2H,(H,7,8)
InChIKeyYMPQZYQWPOWZJD-UHFFFAOYSA-N
MW144.05 g/mol
LogP1.24
Rot. Bonds2

About 1,2,2-trifluoroethyl hydrogen carbonate

1,2,2-trifluoroethyl hydrogen carbonate (PubChem CID 54516242) has the molecular formula C3H3F3O3 and a molecular weight of 144.05 g/mol. Its IUPAC name is 1,2,2-trifluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name1,2,2-trifluoroethyl hydrogen carbonate
PubChem CID54516242
Molecular FormulaC3H3F3O3
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Name1,2,2-trifluoroethyl hydrogen carbonate
SMILESO=C(O)OC(F)C(F)F
InChIInChI=1S/C3H3F3O3/c4-1(5)2(6)9-3(7)8/h1-2H,(H,7,8)
InChIKeyYMPQZYQWPOWZJD-UHFFFAOYSA-N
XLogP1.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroxy 2,2,2-trifluoroethyl carbonate
CID 91320510
2,2-Difluoroethyl hydrogen carbonate
CID 21263419
2-Fluoroethyl hydrogen carbonate
CID 21435686
2,2,3,3,3-Pentafluoropropyl hydrogen carbonate
CID 22067642
2,3,3-Trifluoropropyl hydrogen carbonate
CID 22169202
2,2,2-Trifluoroethyl hydrogen carbonate
CID 22924600
3,3,3-Trifluoropropyl hydrogen carbonate
CID 23217870
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
3,3-Difluoropropyl hydrogen carbonate
CID 87132193
1,3,3-Trifluoropropyl hydrogen carbonate
CID 87132373

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethyl hydrogen carbonate?
The IUPAC name of 1,2,2-trifluoroethyl hydrogen carbonate (CID 54516242) is 1,2,2-trifluoroethyl hydrogen carbonate.
What is the SMILES notation for 1,2,2-trifluoroethyl hydrogen carbonate?
The canonical SMILES for 1,2,2-trifluoroethyl hydrogen carbonate is O=C(O)OC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethyl hydrogen carbonate?
The InChIKey is YMPQZYQWPOWZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O3/c4-1(5)2(6)9-3(7)8/h1-2H,(H,7,8).
What are the key properties of 1,2,2-trifluoroethyl hydrogen carbonate?
1,2,2-trifluoroethyl hydrogen carbonate has a molecular weight of 144.05 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethyl hydrogen carbonate is sourced from PubChem (CID 54516242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).