3,3-dichloro-2-fluoropropanal

C3H3Cl2FO — CID 175402983

IUPAC3,3-dichloro-2-fluoropropanal
SMILESO=CC(F)C(Cl)Cl
InChIInChI=1S/C3H3Cl2FO/c4-3(5)2(6)1-7/h1-3H
InChIKeyKXMNNVQPDBJDOM-UHFFFAOYSA-N
MW144.96 g/mol
LogP1.33
Rot. Bonds2

About 3,3-dichloro-2-fluoropropanal

3,3-dichloro-2-fluoropropanal (PubChem CID 175402983) has the molecular formula C3H3Cl2FO and a molecular weight of 144.96 g/mol. Its IUPAC name is 3,3-dichloro-2-fluoropropanal.

Molecular Properties

Compound Name3,3-dichloro-2-fluoropropanal
PubChem CID175402983
Molecular FormulaC3H3Cl2FO
Molecular Weight144.96 g/mol
Exact Mass143.95
IUPAC Name3,3-dichloro-2-fluoropropanal
SMILESO=CC(F)C(Cl)Cl
InChIInChI=1S/C3H3Cl2FO/c4-3(5)2(6)1-7/h1-3H
InChIKeyKXMNNVQPDBJDOM-UHFFFAOYSA-N
XLogP1.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.96
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-fluoropropanal?
The IUPAC name of 3,3-dichloro-2-fluoropropanal (CID 175402983) is 3,3-dichloro-2-fluoropropanal.
What is the SMILES notation for 3,3-dichloro-2-fluoropropanal?
The canonical SMILES for 3,3-dichloro-2-fluoropropanal is O=CC(F)C(Cl)Cl.
What is the InChIKey of 3,3-dichloro-2-fluoropropanal?
The InChIKey is KXMNNVQPDBJDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2FO/c4-3(5)2(6)1-7/h1-3H.
What are the key properties of 3,3-dichloro-2-fluoropropanal?
3,3-dichloro-2-fluoropropanal has a molecular weight of 144.96 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-fluoropropanal is sourced from PubChem (CID 175402983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).