1,1,2,3-tetrafluoropropyl hydrogen carbonate

C4H4F4O3 — CID 87246673

IUPAC1,1,2,3-tetrafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)CF
InChIInChI=1S/C4H4F4O3/c5-1-2(6)4(7,8)11-3(9)10/h2H,1H2,(H,9,10)
InChIKeyOAMSZCIVPFJDPA-UHFFFAOYSA-N
MW176.06 g/mol
LogP1.58
Rot. Bonds3

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

1,1,2,3-tetrafluoropropyl hydrogen carbonate (PubChem CID 87246673) has the molecular formula C4H4F4O3 and a molecular weight of 176.06 g/mol. Its IUPAC name is 1,1,2,3-tetrafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,2,3-tetrafluoropropyl hydrogen carbonate
PubChem CID87246673
Molecular FormulaC4H4F4O3
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name1,1,2,3-tetrafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)CF
InChIInChI=1S/C4H4F4O3/c5-1-2(6)4(7,8)11-3(9)10/h2H,1H2,(H,9,10)
InChIKeyOAMSZCIVPFJDPA-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 20308788
1,1,1,2,2,3-Hexafluoropentan-3-yl hydrogen carbonate
CID 21263421
1,2,3,3-Tetrafluoropropyl hydrogen carbonate
CID 21435693
2,2,3,3,3-Pentafluoropropyl hydrogen carbonate
CID 22067642
2,3,3-Trifluoropropyl hydrogen carbonate
CID 22169202
3,3,3-Trifluoropropyl hydrogen carbonate
CID 23217870
4,4,4-Trifluorobutyl hydrogen carbonate
CID 23442966
2,2,3,3-Tetrafluorobutyl hydrogen carbonate
CID 53437011
1,1,2,2,3,3-Hexafluoropentyl hydrogen carbonate
CID 53934222
1,2,2,3,3-Pentafluoropropyl hydrogen carbonate
CID 54206467
Bis(1,1,2,2,3-pentafluoropropyl) carbonate
CID 54324348
3,3,4,4-Tetrafluorobutyl hydrogen carbonate
CID 54464764

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrafluoropropyl hydrogen carbonate?
The IUPAC name of 1,1,2,3-tetrafluoropropyl hydrogen carbonate (CID 87246673) is 1,1,2,3-tetrafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,1,2,3-tetrafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,1,2,3-tetrafluoropropyl hydrogen carbonate is O=C(O)OC(F)(F)C(F)CF.
What is the InChIKey of 1,1,2,3-tetrafluoropropyl hydrogen carbonate?
The InChIKey is OAMSZCIVPFJDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3/c5-1-2(6)4(7,8)11-3(9)10/h2H,1H2,(H,9,10).
What are the key properties of 1,1,2,3-tetrafluoropropyl hydrogen carbonate?
1,1,2,3-tetrafluoropropyl hydrogen carbonate has a molecular weight of 176.06 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrafluoropropyl hydrogen carbonate is sourced from PubChem (CID 87246673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).