pentanoyl chloride;hydrofluoride

C5H10ClFO — CID 174423538

IUPACpentanoyl chloride;hydrofluoride
SMILESCCCCC(=O)Cl.F
InChIInChI=1S/C5H9ClO.FH/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H
InChIKeyOWDBNDMUQSFYSC-UHFFFAOYSA-N
MW140.59 g/mol
LogP2.09
Rot. Bonds3

About pentanoyl chloride;hydrofluoride

pentanoyl chloride;hydrofluoride (PubChem CID 174423538) has the molecular formula C5H10ClFO and a molecular weight of 140.59 g/mol. Its IUPAC name is pentanoyl chloride;hydrofluoride.

Molecular Properties

Compound Namepentanoyl chloride;hydrofluoride
PubChem CID174423538
Molecular FormulaC5H10ClFO
Molecular Weight140.59 g/mol
Exact Mass140.04
IUPAC Namepentanoyl chloride;hydrofluoride
SMILESCCCCC(=O)Cl.F
InChIInChI=1S/C5H9ClO.FH/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H
InChIKeyOWDBNDMUQSFYSC-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pentanoyl chloride;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nonadecanoyl chloride
CID 4250939
benzene;hexanoyl chloride
CID 174698331
sodium;bis(dodecanoyl chloride);hydride
CID 175516799
cyclohexane;octanoyl chloride
CID 175478267
dimethylphosphorylmethane;nonanoyl chloride
CID 91004797
hypochlorous acid;pentanoic acid
CID 157152267
chlorobenzene;pentanoyl chloride
CID 174976374
butanoyl chloride;hydroiodide
CID 162309857
(Z)-octadec-6-enoyl chloride
CID 87496565
(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-heptadec-10-enoyl chloride
CID 14430044

Frequently Asked Questions

What is the IUPAC name of pentanoyl chloride;hydrofluoride?
The IUPAC name of pentanoyl chloride;hydrofluoride (CID 174423538) is pentanoyl chloride;hydrofluoride.
What is the SMILES notation for pentanoyl chloride;hydrofluoride?
The canonical SMILES for pentanoyl chloride;hydrofluoride is CCCCC(=O)Cl.F.
What is the InChIKey of pentanoyl chloride;hydrofluoride?
The InChIKey is OWDBNDMUQSFYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO.FH/c1-2-3-4-5(6)7;/h2-4H2,1H3;1H.
What are the key properties of pentanoyl chloride;hydrofluoride?
pentanoyl chloride;hydrofluoride has a molecular weight of 140.59 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyl chloride;hydrofluoride is sourced from PubChem (CID 174423538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).