1-fluoropropan-2-yl hydrogen carbonate

C4H7FO3 — CID 54192628

IUPAC1-fluoropropan-2-yl hydrogen carbonate
SMILESCC(CF)OC(=O)O
InChIInChI=1S/C4H7FO3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeySLJIRUHPRPIFRX-UHFFFAOYSA-N
MW122.09 g/mol
LogP1.04
Rot. Bonds2

About 1-fluoropropan-2-yl hydrogen carbonate

1-fluoropropan-2-yl hydrogen carbonate (PubChem CID 54192628) has the molecular formula C4H7FO3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 1-fluoropropan-2-yl hydrogen carbonate.

Molecular Properties

Compound Name1-fluoropropan-2-yl hydrogen carbonate
PubChem CID54192628
Molecular FormulaC4H7FO3
Molecular Weight122.09 g/mol
Exact Mass122.04
IUPAC Name1-fluoropropan-2-yl hydrogen carbonate
SMILESCC(CF)OC(=O)O
InChIInChI=1S/C4H7FO3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKeySLJIRUHPRPIFRX-UHFFFAOYSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-2-yl hydrogen carbonate?
The IUPAC name of 1-fluoropropan-2-yl hydrogen carbonate (CID 54192628) is 1-fluoropropan-2-yl hydrogen carbonate.
What is the SMILES notation for 1-fluoropropan-2-yl hydrogen carbonate?
The canonical SMILES for 1-fluoropropan-2-yl hydrogen carbonate is CC(CF)OC(=O)O.
What is the InChIKey of 1-fluoropropan-2-yl hydrogen carbonate?
The InChIKey is SLJIRUHPRPIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H,6,7).
What are the key properties of 1-fluoropropan-2-yl hydrogen carbonate?
1-fluoropropan-2-yl hydrogen carbonate has a molecular weight of 122.09 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-yl hydrogen carbonate is sourced from PubChem (CID 54192628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).