3,3-dichloroprop-1-ene

C3H4Cl2 — CID 11244

IUPAC3,3-dichloroprop-1-ene
SMILESC=CC(Cl)Cl
InChIInChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
InChIKeyVRTNIWBNFSHDEB-UHFFFAOYSA-N
MW110.97 g/mol
LogP1.98
Rot. Bonds1

About 3,3-dichloroprop-1-ene

3,3-dichloroprop-1-ene (PubChem CID 11244) has the molecular formula C3H4Cl2 and a molecular weight of 110.97 g/mol. Its IUPAC name is 3,3-dichloroprop-1-ene.

Molecular Properties

Compound Name3,3-dichloroprop-1-ene
PubChem CID11244
Molecular FormulaC3H4Cl2
Molecular Weight110.97 g/mol
Exact Mass109.97
IUPAC Name3,3-dichloroprop-1-ene
SMILESC=CC(Cl)Cl
InChIInChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
InChIKeyVRTNIWBNFSHDEB-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.97
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloroprop-1-ene?
The IUPAC name of 3,3-dichloroprop-1-ene (CID 11244) is 3,3-dichloroprop-1-ene.
What is the SMILES notation for 3,3-dichloroprop-1-ene?
The canonical SMILES for 3,3-dichloroprop-1-ene is C=CC(Cl)Cl.
What is the InChIKey of 3,3-dichloroprop-1-ene?
The InChIKey is VRTNIWBNFSHDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2.
What are the key properties of 3,3-dichloroprop-1-ene?
3,3-dichloroprop-1-ene has a molecular weight of 110.97 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloroprop-1-ene is sourced from PubChem (CID 11244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).