1,1,3,3,3-pentafluoropropyl hydrogen carbonate

C4H3F5O3 — CID 174229678

IUPAC1,1,3,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H3F5O3/c5-3(6,7)1-4(8,9)12-2(10)11/h1H2,(H,10,11)
InChIKeyXXSZJZGUJDATSM-UHFFFAOYSA-N
MW194.05 g/mol
LogP2.23
Rot. Bonds2

About 1,1,3,3,3-pentafluoropropyl hydrogen carbonate

1,1,3,3,3-pentafluoropropyl hydrogen carbonate (PubChem CID 174229678) has the molecular formula C4H3F5O3 and a molecular weight of 194.05 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoropropyl hydrogen carbonate
PubChem CID174229678
Molecular FormulaC4H3F5O3
Molecular Weight194.05 g/mol
Exact Mass194.00
IUPAC Name1,1,3,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H3F5O3/c5-3(6,7)1-4(8,9)12-2(10)11/h1H2,(H,10,11)
InChIKeyXXSZJZGUJDATSM-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,3,3,3-pentafluoropropyl 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 1,1,3,3,3-pentafluoropropyl hydrogen carbonate?
The IUPAC name of 1,1,3,3,3-pentafluoropropyl hydrogen carbonate (CID 174229678) is 1,1,3,3,3-pentafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,1,3,3,3-pentafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,1,3,3,3-pentafluoropropyl hydrogen carbonate is O=C(O)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoropropyl hydrogen carbonate?
The InChIKey is XXSZJZGUJDATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3/c5-3(6,7)1-4(8,9)12-2(10)11/h1H2,(H,10,11).
What are the key properties of 1,1,3,3,3-pentafluoropropyl hydrogen carbonate?
1,1,3,3,3-pentafluoropropyl hydrogen carbonate has a molecular weight of 194.05 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoropropyl hydrogen carbonate is sourced from PubChem (CID 174229678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).