1,1,2,3,3-pentafluoropropyl hydrogen carbonate

C4H3F5O3 — CID 88584967

IUPAC1,1,2,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)C(F)F
InChIInChI=1S/C4H3F5O3/c5-1(2(6)7)4(8,9)12-3(10)11/h1-2H,(H,10,11)
InChIKeyLAPWHGIYLIKGBY-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.88
Rot. Bonds3

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

1,1,2,3,3-pentafluoropropyl hydrogen carbonate (PubChem CID 88584967) has the molecular formula C4H3F5O3 and a molecular weight of 194.06 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoropropyl hydrogen carbonate.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoropropyl hydrogen carbonate
PubChem CID88584967
Molecular FormulaC4H3F5O3
Molecular Weight194.06 g/mol
Exact Mass194.00
IUPAC Name1,1,2,3,3-pentafluoropropyl hydrogen carbonate
SMILESO=C(O)OC(F)(F)C(F)C(F)F
InChIInChI=1S/C4H3F5O3/c5-1(2(6)7)4(8,9)12-3(10)11/h1-2H,(H,10,11)
InChIKeyLAPWHGIYLIKGBY-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoropropan-2-yl hydrogen carbonate
CID 87318684
1,1,2,3,3,3-hexafluoropropyl prop-2-enoate
CID 21470424
1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
CID 171776185
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
CID 175090999
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctyl prop-2-enoate
CID 21087786
1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate
CID 87085834
carbonic acid;trifluoromethoxyethene
CID 175150293
(E)-4-(1,1,2,2-tetrafluoroethoxy)but-2-enoic acid
CID 162455178
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-oxoacetic acid
CID 87970448
2-(1,1,2,3,3-pentafluoropropoxy)-1,3,2-dioxaphospholane
CID 175446613
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-icosafluoroundecyl carbonochloridate
CID 88826729
2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid
CID 135262109

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoropropyl hydrogen carbonate?
The IUPAC name of 1,1,2,3,3-pentafluoropropyl hydrogen carbonate (CID 88584967) is 1,1,2,3,3-pentafluoropropyl hydrogen carbonate.
What is the SMILES notation for 1,1,2,3,3-pentafluoropropyl hydrogen carbonate?
The canonical SMILES for 1,1,2,3,3-pentafluoropropyl hydrogen carbonate is O=C(O)OC(F)(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoropropyl hydrogen carbonate?
The InChIKey is LAPWHGIYLIKGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O3/c5-1(2(6)7)4(8,9)12-3(10)11/h1-2H,(H,10,11).
What are the key properties of 1,1,2,3,3-pentafluoropropyl hydrogen carbonate?
1,1,2,3,3-pentafluoropropyl hydrogen carbonate has a molecular weight of 194.06 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoropropyl hydrogen carbonate is sourced from PubChem (CID 88584967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).