3,3-dichloro-2-fluoroprop-1-ene

C3H3Cl2F — CID 54549509

IUPAC3,3-dichloro-2-fluoroprop-1-ene
SMILESC=C(F)C(Cl)Cl
InChIInChI=1S/C3H3Cl2F/c1-2(6)3(4)5/h3H,1H2
InChIKeyMOLIYEMMBMKMPB-UHFFFAOYSA-N
MW128.96 g/mol
LogP2.27
Rot. Bonds1

About 3,3-dichloro-2-fluoroprop-1-ene

3,3-dichloro-2-fluoroprop-1-ene (PubChem CID 54549509) has the molecular formula C3H3Cl2F and a molecular weight of 128.96 g/mol. Its IUPAC name is 3,3-dichloro-2-fluoroprop-1-ene.

Molecular Properties

Compound Name3,3-dichloro-2-fluoroprop-1-ene
PubChem CID54549509
Molecular FormulaC3H3Cl2F
Molecular Weight128.96 g/mol
Exact Mass127.96
IUPAC Name3,3-dichloro-2-fluoroprop-1-ene
SMILESC=C(F)C(Cl)Cl
InChIInChI=1S/C3H3Cl2F/c1-2(6)3(4)5/h3H,1H2
InChIKeyMOLIYEMMBMKMPB-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.96
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2-fluoroprop-1-ene?
The IUPAC name of 3,3-dichloro-2-fluoroprop-1-ene (CID 54549509) is 3,3-dichloro-2-fluoroprop-1-ene.
What is the SMILES notation for 3,3-dichloro-2-fluoroprop-1-ene?
The canonical SMILES for 3,3-dichloro-2-fluoroprop-1-ene is C=C(F)C(Cl)Cl.
What is the InChIKey of 3,3-dichloro-2-fluoroprop-1-ene?
The InChIKey is MOLIYEMMBMKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Cl2F/c1-2(6)3(4)5/h3H,1H2.
What are the key properties of 3,3-dichloro-2-fluoroprop-1-ene?
3,3-dichloro-2-fluoroprop-1-ene has a molecular weight of 128.96 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2-fluoroprop-1-ene is sourced from PubChem (CID 54549509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).