fluorobenzene;propanoyl chloride

C9H10ClFO — CID 161139565

IUPACfluorobenzene;propanoyl chloride
SMILESCCC(=O)Cl.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H5ClO/c7-6-4-2-1-3-5-6;1-2-3(4)5/h1-5H;2H2,1H3
InChIKeyUNGFNXKXMNEJPT-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.99
Rot. Bonds1

About fluorobenzene;propanoyl chloride

fluorobenzene;propanoyl chloride (PubChem CID 161139565) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is fluorobenzene;propanoyl chloride.

Molecular Properties

Compound Namefluorobenzene;propanoyl chloride
PubChem CID161139565
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Namefluorobenzene;propanoyl chloride
SMILESCCC(=O)Cl.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H5ClO/c7-6-4-2-1-3-5-6;1-2-3(4)5/h1-5H;2H2,1H3
InChIKeyUNGFNXKXMNEJPT-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.99
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

phenol;propanoyl chloride
CID 174946561
benzene;propanoyl chloride;dihydrate
CID 174835832
chloromethylbenzene;propanoyl chloride
CID 160925981
fluorobenzene;prop-2-enoyl chloride
CID 159760934
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
fluorobenzene;hexane
CID 158112243
(4-fluorophenyl)-diphenylsulfanium;propanoate
CID 159057475
fluorobenzene;propane-1-sulfonic acid
CID 174515950
cobalt;fluorobenzene
CID 139244086
fluorobenzene fluoride
CID 139243602
fluorobenzene;nickel
CID 175250202
fluorobenzene;1-(4-fluorophenyl)-2-methylpropan-1-one;2-methylpropanoyl chloride;trichloroalumane
CID 159184008

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;propanoyl chloride?
The IUPAC name of fluorobenzene;propanoyl chloride (CID 161139565) is fluorobenzene;propanoyl chloride.
What is the SMILES notation for fluorobenzene;propanoyl chloride?
The canonical SMILES for fluorobenzene;propanoyl chloride is CCC(=O)Cl.Fc1ccccc1.
What is the InChIKey of fluorobenzene;propanoyl chloride?
The InChIKey is UNGFNXKXMNEJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C3H5ClO/c7-6-4-2-1-3-5-6;1-2-3(4)5/h1-5H;2H2,1H3.
What are the key properties of fluorobenzene;propanoyl chloride?
fluorobenzene;propanoyl chloride has a molecular weight of 188.63 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;propanoyl chloride is sourced from PubChem (CID 161139565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).