(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate

C5H5F3O6 — CID 87086803

IUPAC(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate
SMILESCC(F)(OC(=O)O)C(F)(F)OC(=O)O
InChIInChI=1S/C5H5F3O6/c1-4(6,13-2(9)10)5(7,8)14-3(11)12/h1H3,(H,9,10)(H,11,12)
InChIKeyHVVUTSUSPBSPOF-UHFFFAOYSA-N
MW218.08 g/mol
LogP1.65
Rot. Bonds3

About (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate

(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate (PubChem CID 87086803) has the molecular formula C5H5F3O6 and a molecular weight of 218.08 g/mol. Its IUPAC name is (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate
PubChem CID87086803
Molecular FormulaC5H5F3O6
Molecular Weight218.08 g/mol
Exact Mass218.00
IUPAC Name(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate
SMILESCC(F)(OC(=O)O)C(F)(F)OC(=O)O
InChIInChI=1S/C5H5F3O6/c1-4(6,13-2(9)10)5(7,8)14-3(11)12/h1H3,(H,9,10)(H,11,12)
InChIKeyHVVUTSUSPBSPOF-UHFFFAOYSA-N
XLogP1.65
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Carboxyoxy-1,1,1-trifluoropropan-2-yl) hydrogen carbonate
CID 87090974
1,1-Difluoropropyl hydrogen carbonate
CID 87131880
(1-Carboxyoxy-1,1-difluoropropan-2-yl) hydrogen carbonate
CID 87185481
(3-Carboxyoxy-2,3-difluorobutan-2-yl) hydrogen carbonate
CID 87193860
(2-Carboxyoxy-2,3-difluoropentan-3-yl) hydrogen carbonate
CID 87194201
1,1,2-Trifluoropropyl hydrogen carbonate
CID 87226804
(3-Carboxyoxy-1,1,1-trifluorobutan-2-yl) hydrogen carbonate
CID 87653023
(1-Carboxyoxy-1,1,2,3-tetrafluoropropan-2-yl) hydrogen carbonate
CID 88037074
[(2R)-1-carboxyoxy-1,1,2-trifluoropropan-2-yl] hydrogen carbonate
CID 88407120
[(2S)-1-carboxyoxy-1,1,2-trifluoropropan-2-yl] hydrogen carbonate
CID 88407290
(1-Carboxyoxy-1,2-difluoropropan-2-yl) hydrogen carbonate
CID 88574367
(1-Carboxyoxy-2-fluoropropan-2-yl) hydrogen carbonate
CID 88574473

Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate (CID 87086803) is (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate is CC(F)(OC(=O)O)C(F)(F)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate?
The InChIKey is HVVUTSUSPBSPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O6/c1-4(6,13-2(9)10)5(7,8)14-3(11)12/h1H3,(H,9,10)(H,11,12).
What are the key properties of (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate has a molecular weight of 218.08 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1,1,2-trifluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 87086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).