2-chloroethyl 2-fluoroprop-2-enoate

C5H6ClFO2 — CID 55298117

IUPAC2-chloroethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCl
InChIInChI=1S/C5H6ClFO2/c1-4(7)5(8)9-3-2-6/h1-3H2
InChIKeyBSFSJGQNRFAIIX-UHFFFAOYSA-N
MW152.55 g/mol
LogP1.25
Rot. Bonds3

About 2-chloroethyl 2-fluoroprop-2-enoate

2-chloroethyl 2-fluoroprop-2-enoate (PubChem CID 55298117) has the molecular formula C5H6ClFO2 and a molecular weight of 152.55 g/mol. Its IUPAC name is 2-chloroethyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name2-chloroethyl 2-fluoroprop-2-enoate
PubChem CID55298117
Molecular FormulaC5H6ClFO2
Molecular Weight152.55 g/mol
Exact Mass152.00
IUPAC Name2-chloroethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCl
InChIInChI=1S/C5H6ClFO2/c1-4(7)5(8)9-3-2-6/h1-3H2
InChIKeyBSFSJGQNRFAIIX-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.55
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Chloroethyl acrylate
CID 16627
methyl (Z)-3-chloro-2-fluoroprop-2-enoate
CID 12587004
2,2,2-Trichloroethyl-2-fluoroacrylate
CID 2782530
2,2,2-Trifluoroethyl 2-chloroacrylate
CID 3018501
2,2,2-trifluoroethyl (E)-3-chloroprop-2-enoate
CID 14169638
2-Chloropropyl acrylate
CID 19028358
2,2,3,3-tetrafluoropropyl (2Z)-3-chloroacrylate
CID 643857
2,2,3,3,3-Pentafluoropropyl 2-chloroprop-2-enoate
CID 13051635
2,2,3,3-Tetrafluoropropyl 2-chloroprop-2-enoate
CID 14344283
1,2,3,3-Tetrafluoropropyl 2-chloroprop-2-enoate
CID 17997336
(1-Chloro-2,2,2-trifluoroethyl) prop-2-enoate
CID 18402796
1,2,2-Trichloroethyl 2-fluoroprop-2-enoate
CID 19741874

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl 2-fluoroprop-2-enoate?
The IUPAC name of 2-chloroethyl 2-fluoroprop-2-enoate (CID 55298117) is 2-chloroethyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 2-chloroethyl 2-fluoroprop-2-enoate?
The canonical SMILES for 2-chloroethyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCCl.
What is the InChIKey of 2-chloroethyl 2-fluoroprop-2-enoate?
The InChIKey is BSFSJGQNRFAIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFO2/c1-4(7)5(8)9-3-2-6/h1-3H2.
What are the key properties of 2-chloroethyl 2-fluoroprop-2-enoate?
2-chloroethyl 2-fluoroprop-2-enoate has a molecular weight of 152.55 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 55298117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).