benzoyl fluoride;tetrahydrofluoride

C7H9F5O — CID 139728839

IUPACbenzoyl fluoride;tetrahydrofluoride
SMILESF.F.F.F.O=C(F)c1ccccc1
InChIInChI=1S/C7H5FO.4FH/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H;4*1H
InChIKeyUVAWJKIKSFHVMD-UHFFFAOYSA-N
MW204.14 g/mol
LogP2.41
Rot. Bonds1

About benzoyl fluoride;tetrahydrofluoride

benzoyl fluoride;tetrahydrofluoride (PubChem CID 139728839) has the molecular formula C7H9F5O and a molecular weight of 204.14 g/mol. Its IUPAC name is benzoyl fluoride;tetrahydrofluoride.

Molecular Properties

Compound Namebenzoyl fluoride;tetrahydrofluoride
PubChem CID139728839
Molecular FormulaC7H9F5O
Molecular Weight204.14 g/mol
Exact Mass204.06
IUPAC Namebenzoyl fluoride;tetrahydrofluoride
SMILESF.F.F.F.O=C(F)c1ccccc1
InChIInChI=1S/C7H5FO.4FH/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H;4*1H
InChIKeyUVAWJKIKSFHVMD-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
benzoic acid;zirconium
CID 173089080
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
benzoic acid;titanium;trihydrofluoride
CID 173018170
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;iron
CID 70488368
diphenylmethanone
CID 3102
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
3-(3-carbonofluoridoylbenzoyl)benzoyl fluoride
CID 155435077

Frequently Asked Questions

What is the IUPAC name of benzoyl fluoride;tetrahydrofluoride?
The IUPAC name of benzoyl fluoride;tetrahydrofluoride (CID 139728839) is benzoyl fluoride;tetrahydrofluoride.
What is the SMILES notation for benzoyl fluoride;tetrahydrofluoride?
The canonical SMILES for benzoyl fluoride;tetrahydrofluoride is F.F.F.F.O=C(F)c1ccccc1.
What is the InChIKey of benzoyl fluoride;tetrahydrofluoride?
The InChIKey is UVAWJKIKSFHVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO.4FH/c8-7(9)6-4-2-1-3-5-6;;;;/h1-5H;4*1H.
What are the key properties of benzoyl fluoride;tetrahydrofluoride?
benzoyl fluoride;tetrahydrofluoride has a molecular weight of 204.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl fluoride;tetrahydrofluoride is sourced from PubChem (CID 139728839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).