ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate

C12H12Cl2FNO2 — CID 155748190

IUPACethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(N)c(F)c(Cl)c1Cl
InChIInChI=1S/C12H12Cl2FNO2/c1-2-18-12(17)7-3-5(7)6-4-8(16)11(15)10(14)9(6)13/h4-5,7H,2-3,16H2,1H3
InChIKeyUXJRUPIVQMRVBE-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.38
Rot. Bonds3

About ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate

ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 155748190) has the molecular formula C12H12Cl2FNO2 and a molecular weight of 292.14 g/mol. Its IUPAC name is ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID155748190
Molecular FormulaC12H12Cl2FNO2
Molecular Weight292.14 g/mol
Exact Mass291.02
IUPAC Nameethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1cc(N)c(F)c(Cl)c1Cl
InChIInChI=1S/C12H12Cl2FNO2/c1-2-18-12(17)7-3-5(7)6-4-8(16)11(15)10(14)9(6)13/h4-5,7H,2-3,16H2,1H3
InChIKeyUXJRUPIVQMRVBE-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-(5-amino-2-chloro-4-fluorophenyl)-2,2-dimethylpropanoate
CID 54252761
tert-Butyl 1-(5-amino-2-chloro-4-fluorobenzyl)cyclopropanecarboxylate
CID 68006954
Butyl 1-[(3-amino-6-chloro-2-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 123390904
Ethyl 2-(2,3-dichloro-4-fluoro-5-nitrophenyl)cyclopropane-1-carboxylate
CID 155748138
cis-ethyl (1R,2S)-2-[5-amino-2-chloro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 155748201
Methyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)acetate
CID 164549889
Ethyl 2-(4-amino-2-chlorophenyl)cyclopropane-1-carboxylate
CID 11310995
Methyl 4-(6-amino-2,3-dichlorophenyl)-2,2-dimethylbutanoate
CID 58488977
Ethyl 4-(6-amino-2,3-dichlorophenyl)butanoate
CID 58488978
(trans)-Ethyl-2-(4-amino-2-chlorophenyl)cyclopropanecarboxylate
CID 91397559
Carbononitridic bromide;ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate
CID 123268045
Butyl 1-[(5-amino-2-chlorophenyl)methyl]cyclopropane-1-carboxylate
CID 123893062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate (CID 155748190) is ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1cc(N)c(F)c(Cl)c1Cl.
What is the InChIKey of ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is UXJRUPIVQMRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO2/c1-2-18-12(17)7-3-5(7)6-4-8(16)11(15)10(14)9(6)13/h4-5,7H,2-3,16H2,1H3.
What are the key properties of ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate?
ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 292.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2,3-dichloro-4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 155748190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).