1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate

C4H2F6O3 — CID 88584853

IUPAC1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F6O3/c5-1(6)3(7,8)4(9,10)13-2(11)12/h1H,(H,11,12)
InChIKeyGHHOKNRQXFAWIW-UHFFFAOYSA-N
MW212.05 g/mol
LogP2.17
Rot. Bonds3

About 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate

1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate (PubChem CID 88584853) has the molecular formula C4H2F6O3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate
PubChem CID88584853
Molecular FormulaC4H2F6O3
Molecular Weight212.05 g/mol
Exact Mass211.99
IUPAC Name1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F6O3/c5-1(6)3(7,8)4(9,10)13-2(11)12/h1H,(H,11,12)
InChIKeyGHHOKNRQXFAWIW-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3-hexafluoropropyl 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

1,1,2,2,3,3,4,4,4-Nonafluorobutyl hydrogen carbonate
CID 18000074
2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
1,1,1,2,2,3-Hexafluoropentan-3-yl hydrogen carbonate
CID 21263421
Bis(1,1,2,2,3,3-hexafluoropropyl) carbonate
CID 21263426
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
1,1,1,2,3,3,3-Heptafluoropropan-2-yl hydrogen carbonate
CID 21799537
2,2,3,3,3-Pentafluoropropyl hydrogen carbonate
CID 22067642
1,2,2,3,3-Pentafluoropropyl hydrogen carbonate
CID 54206467
1,1,1,3,3,3-Hexafluoropropan-2-yl hydrogen carbonate
CID 54414330
3,3,4,4-Tetrafluorobutyl hydrogen carbonate
CID 54464764
1,1-Difluoropropyl hydrogen carbonate
CID 87131880
1,1,3-Trifluoropropyl hydrogen carbonate
CID 87132148

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate?
The IUPAC name of 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate (CID 88584853) is 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate is O=C(O)OC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate?
The InChIKey is GHHOKNRQXFAWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O3/c5-1(6)3(7,8)4(9,10)13-2(11)12/h1H,(H,11,12).
What are the key properties of 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate?
1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate has a molecular weight of 212.05 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoropropyl hydrogen carbonate is sourced from PubChem (CID 88584853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).