1-bromopropan-2-one;hydrofluoride

C3H6BrFO — CID 159011031

IUPAC1-bromopropan-2-one;hydrofluoride
SMILESCC(=O)CBr.F
InChIInChI=1S/C3H5BrO.FH/c1-3(5)2-4;/h2H2,1H3;1H
InChIKeyCTZJZRXVCYBPAM-UHFFFAOYSA-N
MW156.98 g/mol
LogP1.12
Rot. Bonds1

About 1-bromopropan-2-one;hydrofluoride

1-bromopropan-2-one;hydrofluoride (PubChem CID 159011031) has the molecular formula C3H6BrFO and a molecular weight of 156.98 g/mol. Its IUPAC name is 1-bromopropan-2-one;hydrofluoride.

Molecular Properties

Compound Name1-bromopropan-2-one;hydrofluoride
PubChem CID159011031
Molecular FormulaC3H6BrFO
Molecular Weight156.98 g/mol
Exact Mass155.96
IUPAC Name1-bromopropan-2-one;hydrofluoride
SMILESCC(=O)CBr.F
InChIInChI=1S/C3H5BrO.FH/c1-3(5)2-4;/h2H2,1H3;1H
InChIKeyCTZJZRXVCYBPAM-UHFFFAOYSA-N
XLogP1.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.98
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromopropan-2-one;ethane
CID 171800976
1-bromo-1,1-dideuteriopropan-2-one
CID 161368920
ethane;tris(pentane-2,4-dione)
CID 158826280
butan-2-one;ethane
CID 158905935
butan-2-one;ethane;propane
CID 169173049
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
butan-2-one;ethane;methanamine
CID 172563476
Lithium pentane-2,4-dione
CID 86735745
hexane-2,5-dione
CID 8035
2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
1-bromopropan-2-one;5-methyl-1H-imidazole
CID 157112704
1-[bis(2-oxopropyl)amino]propan-2-one;hydrate
CID 88695571

Frequently Asked Questions

What is the IUPAC name of 1-bromopropan-2-one;hydrofluoride?
The IUPAC name of 1-bromopropan-2-one;hydrofluoride (CID 159011031) is 1-bromopropan-2-one;hydrofluoride.
What is the SMILES notation for 1-bromopropan-2-one;hydrofluoride?
The canonical SMILES for 1-bromopropan-2-one;hydrofluoride is CC(=O)CBr.F.
What is the InChIKey of 1-bromopropan-2-one;hydrofluoride?
The InChIKey is CTZJZRXVCYBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO.FH/c1-3(5)2-4;/h2H2,1H3;1H.
What are the key properties of 1-bromopropan-2-one;hydrofluoride?
1-bromopropan-2-one;hydrofluoride has a molecular weight of 156.98 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropan-2-one;hydrofluoride is sourced from PubChem (CID 159011031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).