2-fluoropropyl hydrogen carbonate

C4H7FO3 — CID 54161759

IUPAC2-fluoropropyl hydrogen carbonate
SMILESCC(F)COC(=O)O
InChIInChI=1S/C4H7FO3/c1-3(5)2-8-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyOOXHATDXBMTSEX-UHFFFAOYSA-N
MW122.09 g/mol
LogP1.04
Rot. Bonds2

About 2-fluoropropyl hydrogen carbonate

2-fluoropropyl hydrogen carbonate (PubChem CID 54161759) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 2-fluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name2-fluoropropyl hydrogen carbonate
PubChem CID54161759
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Name2-fluoropropyl hydrogen carbonate
SMILESCC(F)COC(=O)O
InChIInChI=1S/C4H7FO3/c1-3(5)2-8-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeyOOXHATDXBMTSEX-UHFFFAOYSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoropropyl 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

CID 37714
CID 37714
CID 18413657
CID 18413657
CID 18542732
CID 18542732
CID 20308788
CID 20308788
CID 21435686
CID 21435686
CID 21435693
CID 21435693
CID 22169202
CID 22169202
CID 23111929
CID 23111929
CID 23217870
CID 23217870
CID 23442966
CID 23442966
CID 53437011
CID 53437011
CID 53705378
CID 53705378

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropyl hydrogen carbonate?
The IUPAC name of 2-fluoropropyl hydrogen carbonate (CID 54161759) is 2-fluoropropyl hydrogen carbonate.
What is the SMILES notation for 2-fluoropropyl hydrogen carbonate?
The canonical SMILES for 2-fluoropropyl hydrogen carbonate is CC(F)COC(=O)O.
What is the InChIKey of 2-fluoropropyl hydrogen carbonate?
The InChIKey is OOXHATDXBMTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-3(5)2-8-4(6)7/h3H,2H2,1H3,(H,6,7).
What are the key properties of 2-fluoropropyl hydrogen carbonate?
2-fluoropropyl hydrogen carbonate has a molecular weight of 122.09 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropyl hydrogen carbonate is sourced from PubChem (CID 54161759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).