2-fluoropropan-2-yl hydrogen carbonate

C4H7FO3 — CID 87318684

IUPAC2-fluoropropan-2-yl hydrogen carbonate
SMILESCC(C)(F)OC(=O)O
InChIInChI=1S/C4H7FO3/c1-4(2,5)8-3(6)7/h1-2H3,(H,6,7)
InChIKeyLJRACTJKTDQJEI-UHFFFAOYSA-N
MW122.09 g/mol
LogP1.39
Rot. Bonds1

About 2-fluoropropan-2-yl hydrogen carbonate

2-fluoropropan-2-yl hydrogen carbonate (PubChem CID 87318684) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 2-fluoropropan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name2-fluoropropan-2-yl hydrogen carbonate
PubChem CID87318684
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Name2-fluoropropan-2-yl hydrogen carbonate
SMILESCC(C)(F)OC(=O)O
InChIInChI=1S/C4H7FO3/c1-4(2,5)8-3(6)7/h1-2H3,(H,6,7)
InChIKeyLJRACTJKTDQJEI-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropropan-2-yl hydrogen carbonate?
The IUPAC name of 2-fluoropropan-2-yl hydrogen carbonate (CID 87318684) is 2-fluoropropan-2-yl hydrogen carbonate.
What is the SMILES notation for 2-fluoropropan-2-yl hydrogen carbonate?
The canonical SMILES for 2-fluoropropan-2-yl hydrogen carbonate is CC(C)(F)OC(=O)O.
What is the InChIKey of 2-fluoropropan-2-yl hydrogen carbonate?
The InChIKey is LJRACTJKTDQJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-4(2,5)8-3(6)7/h1-2H3,(H,6,7).
What are the key properties of 2-fluoropropan-2-yl hydrogen carbonate?
2-fluoropropan-2-yl hydrogen carbonate has a molecular weight of 122.09 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropan-2-yl hydrogen carbonate is sourced from PubChem (CID 87318684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).