formyl chloride;propane

C4H9ClO — CID 160862767

IUPACformyl chloride;propane
SMILESCCC.O=CCl
InChIInChI=1S/C3H8.CHClO/c1-3-2;2-1-3/h3H2,1-2H3;1H
InChIKeySKRYOXOMZKPQNJ-UHFFFAOYSA-N
MW108.57 g/mol
LogP1.83
Rot. Bonds

About formyl chloride;propane

formyl chloride;propane (PubChem CID 160862767) has the molecular formula C4H9ClO and a molecular weight of 108.57 g/mol. Its IUPAC name is formyl chloride;propane.

Molecular Properties

Compound Nameformyl chloride;propane
PubChem CID160862767
Molecular FormulaC4H9ClO
Molecular Weight108.57 g/mol
Exact Mass108.03
IUPAC Nameformyl chloride;propane
SMILESCCC.O=CCl
InChIInChI=1S/C3H8.CHClO/c1-3-2;2-1-3/h3H2,1-2H3;1H
InChIKeySKRYOXOMZKPQNJ-UHFFFAOYSA-N
XLogP1.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.57
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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propanal;propane;yttrium
CID 161083042
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CID 175033696
acetaldehyde;ethanamine;ethane;propane
CID 158850439
butanal;propane
CID 142417026
2-(chloromethylidene)butanal
CID 71360775
propanal;trihydrochloride
CID 140558923
butane;oxaldehyde
CID 87585246

Frequently Asked Questions

What is the IUPAC name of formyl chloride;propane?
The IUPAC name of formyl chloride;propane (CID 160862767) is formyl chloride;propane.
What is the SMILES notation for formyl chloride;propane?
The canonical SMILES for formyl chloride;propane is CCC.O=CCl.
What is the InChIKey of formyl chloride;propane?
The InChIKey is SKRYOXOMZKPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CHClO/c1-3-2;2-1-3/h3H2,1-2H3;1H.
What are the key properties of formyl chloride;propane?
formyl chloride;propane has a molecular weight of 108.57 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;propane is sourced from PubChem (CID 160862767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).