cyclobutanecarboxylic acid;hydrofluoride

C5H9FO2 — CID 161438543

IUPACcyclobutanecarboxylic acid;hydrofluoride
SMILESF.O=C(O)C1CCC1
InChIInChI=1S/C5H8O2.FH/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H
InChIKeyDNCBPPCMUIURJL-UHFFFAOYSA-N
MW120.12 g/mol
LogP1.02
Rot. Bonds1

About cyclobutanecarboxylic acid;hydrofluoride

cyclobutanecarboxylic acid;hydrofluoride (PubChem CID 161438543) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is cyclobutanecarboxylic acid;hydrofluoride.

Molecular Properties

Compound Namecyclobutanecarboxylic acid;hydrofluoride
PubChem CID161438543
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Namecyclobutanecarboxylic acid;hydrofluoride
SMILESF.O=C(O)C1CCC1
InChIInChI=1S/C5H8O2.FH/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H
InChIKeyDNCBPPCMUIURJL-UHFFFAOYSA-N
XLogP1.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53471629
CID 53471629
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
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CID 160928112

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarboxylic acid;hydrofluoride?
The IUPAC name of cyclobutanecarboxylic acid;hydrofluoride (CID 161438543) is cyclobutanecarboxylic acid;hydrofluoride.
What is the SMILES notation for cyclobutanecarboxylic acid;hydrofluoride?
The canonical SMILES for cyclobutanecarboxylic acid;hydrofluoride is F.O=C(O)C1CCC1.
What is the InChIKey of cyclobutanecarboxylic acid;hydrofluoride?
The InChIKey is DNCBPPCMUIURJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.FH/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H,6,7);1H.
What are the key properties of cyclobutanecarboxylic acid;hydrofluoride?
cyclobutanecarboxylic acid;hydrofluoride has a molecular weight of 120.12 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboxylic acid;hydrofluoride is sourced from PubChem (CID 161438543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).