(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate

C5H7FO6 — CID 87082597

IUPAC(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate
SMILESCC(OC(=O)O)C(F)OC(=O)O
InChIInChI=1S/C5H7FO6/c1-2(11-4(7)8)3(6)12-5(9)10/h2-3H,1H3,(H,7,8)(H,9,10)
InChIKeyMATZIQIAIHHWRV-UHFFFAOYSA-N
MW182.10 g/mol
LogP1.06
Rot. Bonds3

About (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate

(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate (PubChem CID 87082597) has the molecular formula C5H7FO6 and a molecular weight of 182.10 g/mol. Its IUPAC name is (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate
PubChem CID87082597
Molecular FormulaC5H7FO6
Molecular Weight182.10 g/mol
Exact Mass182.02
IUPAC Name(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate
SMILESCC(OC(=O)O)C(F)OC(=O)O
InChIInChI=1S/C5H7FO6/c1-2(11-4(7)8)3(6)12-5(9)10/h2-3H,1H3,(H,7,8)(H,9,10)
InChIKeyMATZIQIAIHHWRV-UHFFFAOYSA-N
XLogP1.06
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.10
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Carboxyoxypropan-2-yl hydrogen carbonate
CID 18183689
1-Fluoropropan-2-yl hydrogen carbonate
CID 54192628
(3-Carboxyoxy-1,1,1-trifluoropropan-2-yl) hydrogen carbonate
CID 87090974
1-Fluorobutan-2-yl hydrogen carbonate
CID 87091241
(2-Carboxyoxy-1-fluoroethyl) hydrogen carbonate
CID 87150454
(1-Carboxyoxy-1,1-difluoropropan-2-yl) hydrogen carbonate
CID 87185481
(1-Carboxyoxy-3-fluoropropan-2-yl) hydrogen carbonate
CID 87246681
(1-Carboxyoxy-4-fluorobutan-2-yl) hydrogen carbonate
CID 87326148
4-Fluorobutan-2-yl hydrogen carbonate
CID 87462448
(3-Carboxyoxy-1,1,1-trifluorobutan-2-yl) hydrogen carbonate
CID 87653023
3-Fluorobutan-2-yl hydrogen carbonate
CID 87653383
(1-Carboxyoxy-1,2-difluoropropan-2-yl) hydrogen carbonate
CID 88574367

Frequently Asked Questions

What is the IUPAC name of (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate?
The IUPAC name of (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate (CID 87082597) is (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate is CC(OC(=O)O)C(F)OC(=O)O.
What is the InChIKey of (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate?
The InChIKey is MATZIQIAIHHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO6/c1-2(11-4(7)8)3(6)12-5(9)10/h2-3H,1H3,(H,7,8)(H,9,10).
What are the key properties of (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate?
(1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate has a molecular weight of 182.10 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxyoxy-1-fluoropropan-2-yl) hydrogen carbonate is sourced from PubChem (CID 87082597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).