1,3-difluoroprop-2-enyl hydrogen carbonate

C4H4F2O3 — CID 175035553

IUPAC1,3-difluoroprop-2-enyl hydrogen carbonate
SMILESO=C(O)OC(F)C=CF
InChIInChI=1S/C4H4F2O3/c5-2-1-3(6)9-4(7)8/h1-3H,(H,7,8)
InChIKeyWBAMBQADDYUEKZ-UHFFFAOYSA-N
MW138.07 g/mol
LogP1.46
Rot. Bonds2

About 1,3-difluoroprop-2-enyl hydrogen carbonate

1,3-difluoroprop-2-enyl hydrogen carbonate (PubChem CID 175035553) has the molecular formula C4H4F2O3 and a molecular weight of 138.07 g/mol. Its IUPAC name is 1,3-difluoroprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name1,3-difluoroprop-2-enyl hydrogen carbonate
PubChem CID175035553
Molecular FormulaC4H4F2O3
Molecular Weight138.07 g/mol
Exact Mass138.01
IUPAC Name1,3-difluoroprop-2-enyl hydrogen carbonate
SMILESO=C(O)OC(F)C=CF
InChIInChI=1S/C4H4F2O3/c5-2-1-3(6)9-4(7)8/h1-3H,(H,7,8)
InChIKeyWBAMBQADDYUEKZ-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.07
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-difluoroprop-2-enyl 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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-2-enyl hydrogen carbonate?
The IUPAC name of 1,3-difluoroprop-2-enyl hydrogen carbonate (CID 175035553) is 1,3-difluoroprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 1,3-difluoroprop-2-enyl hydrogen carbonate?
The canonical SMILES for 1,3-difluoroprop-2-enyl hydrogen carbonate is O=C(O)OC(F)C=CF.
What is the InChIKey of 1,3-difluoroprop-2-enyl hydrogen carbonate?
The InChIKey is WBAMBQADDYUEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O3/c5-2-1-3(6)9-4(7)8/h1-3H,(H,7,8).
What are the key properties of 1,3-difluoroprop-2-enyl hydrogen carbonate?
1,3-difluoroprop-2-enyl hydrogen carbonate has a molecular weight of 138.07 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 175035553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).