3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene

C7H12ClFO2 — CID 134985874

IUPAC3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
SMILESC=C(F)C(OCC)OCCCl
InChIInChI=1S/C7H12ClFO2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3
InChIKeyCABBPJMTXYRCMG-UHFFFAOYSA-N
MW182.62 g/mol
LogP2.09
Rot. Bonds6

About 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene

3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene (PubChem CID 134985874) has the molecular formula C7H12ClFO2 and a molecular weight of 182.62 g/mol. Its IUPAC name is 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene.

Molecular Properties

Compound Name3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
PubChem CID134985874
Molecular FormulaC7H12ClFO2
Molecular Weight182.62 g/mol
Exact Mass182.05
IUPAC Name3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene
SMILESC=C(F)C(OCC)OCCCl
InChIInChI=1S/C7H12ClFO2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3
InChIKeyCABBPJMTXYRCMG-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene?
The IUPAC name of 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene (CID 134985874) is 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene.
What is the SMILES notation for 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene?
The canonical SMILES for 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene is C=C(F)C(OCC)OCCCl.
What is the InChIKey of 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene?
The InChIKey is CABBPJMTXYRCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO2/c1-3-10-7(6(2)9)11-5-4-8/h7H,2-5H2,1H3.
What are the key properties of 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene?
3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene has a molecular weight of 182.62 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)-3-ethoxy-2-fluoroprop-1-ene is sourced from PubChem (CID 134985874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).