2-chloroethenyl 1-fluorocyclopropane-1-carboxylate

C6H6ClFO2 — CID 88782461

IUPAC2-chloroethenyl 1-fluorocyclopropane-1-carboxylate
SMILESO=C(OC=CCl)C1(F)CC1
InChIInChI=1S/C6H6ClFO2/c7-3-4-10-5(9)6(8)1-2-6/h3-4H,1-2H2
InChIKeyZQZVPDNAMYGXJX-UHFFFAOYSA-N
MW164.56 g/mol
LogP1.74
Rot. Bonds2

About 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate

2-chloroethenyl 1-fluorocyclopropane-1-carboxylate (PubChem CID 88782461) has the molecular formula C6H6ClFO2 and a molecular weight of 164.56 g/mol. Its IUPAC name is 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-chloroethenyl 1-fluorocyclopropane-1-carboxylate
PubChem CID88782461
Molecular FormulaC6H6ClFO2
Molecular Weight164.56 g/mol
Exact Mass164.00
IUPAC Name2-chloroethenyl 1-fluorocyclopropane-1-carboxylate
SMILESO=C(OC=CCl)C1(F)CC1
InChIInChI=1S/C6H6ClFO2/c7-3-4-10-5(9)6(8)1-2-6/h3-4H,1-2H2
InChIKeyZQZVPDNAMYGXJX-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.56
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 1-fluorocyclopropane-1-carboxylate
CID 176792860
2-chloroethenyl acetate;ethene
CID 175726418
CID 87631094
CID 87631094
(4-fluorophenyl) 1-fluorocyclopropane-1-carboxylate
CID 70650926
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
(2,2,2-trifluoroacetyl) 4-fluoropiperidine-4-carboxylate
CID 174230111
ethyl 4-fluoro-1-phosphanylpiperidine-4-carboxylate
CID 177209400
methyl 1-(2-chloroprop-1-enyl)cyclopropane-1-carboxylate
CID 141128148
1,4-difluorocyclohexane-1-carboxylic acid
CID 141145734
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate;ethane
CID 144500244
(1-fluorocyclopropyl)-phenylmethanone
CID 18983537

Frequently Asked Questions

What is the IUPAC name of 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate?
The IUPAC name of 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate (CID 88782461) is 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate?
The canonical SMILES for 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate is O=C(OC=CCl)C1(F)CC1.
What is the InChIKey of 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate?
The InChIKey is ZQZVPDNAMYGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO2/c7-3-4-10-5(9)6(8)1-2-6/h3-4H,1-2H2.
What are the key properties of 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate?
2-chloroethenyl 1-fluorocyclopropane-1-carboxylate has a molecular weight of 164.56 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethenyl 1-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 88782461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).