2-(chloromethyl)-3-fluoroprop-1-ene

C4H6ClF — CID 14072053

IUPAC2-(chloromethyl)-3-fluoroprop-1-ene
SMILESC=C(CF)CCl
InChIInChI=1S/C4H6ClF/c1-4(2-5)3-6/h1-3H2
InChIKeyLPVAUXPEOCMFRJ-UHFFFAOYSA-N
MW108.54 g/mol
LogP1.75
Rot. Bonds2

About 2-(chloromethyl)-3-fluoroprop-1-ene

2-(chloromethyl)-3-fluoroprop-1-ene (PubChem CID 14072053) has the molecular formula C4H6ClF and a molecular weight of 108.54 g/mol. Its IUPAC name is 2-(chloromethyl)-3-fluoroprop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-fluoroprop-1-ene
PubChem CID14072053
Molecular FormulaC4H6ClF
Molecular Weight108.54 g/mol
Exact Mass108.01
IUPAC Name2-(chloromethyl)-3-fluoroprop-1-ene
SMILESC=C(CF)CCl
InChIInChI=1S/C4H6ClF/c1-4(2-5)3-6/h1-3H2
InChIKeyLPVAUXPEOCMFRJ-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.54
LogP ≤ 51.75
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 2-(chloromethyl)-3-fluoroprop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-fluoroprop-1-ene (CID 14072053) is 2-(chloromethyl)-3-fluoroprop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-fluoroprop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-fluoroprop-1-ene is C=C(CF)CCl.
What is the InChIKey of 2-(chloromethyl)-3-fluoroprop-1-ene?
The InChIKey is LPVAUXPEOCMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF/c1-4(2-5)3-6/h1-3H2.
What are the key properties of 2-(chloromethyl)-3-fluoroprop-1-ene?
2-(chloromethyl)-3-fluoroprop-1-ene has a molecular weight of 108.54 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-fluoroprop-1-ene is sourced from PubChem (CID 14072053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).