ethyl 6-chloro-3-fluoro-2-methylbenzoate

C10H10ClFO2 — CID 130921289

IUPACethyl 6-chloro-3-fluoro-2-methylbenzoate
SMILESCCOC(=O)c1c(Cl)ccc(F)c1C
InChIInChI=1S/C10H10ClFO2/c1-3-14-10(13)9-6(2)8(12)5-4-7(9)11/h4-5H,3H2,1-2H3
InChIKeyGRGIXVQIZNLMJJ-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.96
Rot. Bonds2

About ethyl 6-chloro-3-fluoro-2-methylbenzoate

ethyl 6-chloro-3-fluoro-2-methylbenzoate (PubChem CID 130921289) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is ethyl 6-chloro-3-fluoro-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 6-chloro-3-fluoro-2-methylbenzoate
PubChem CID130921289
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Nameethyl 6-chloro-3-fluoro-2-methylbenzoate
SMILESCCOC(=O)c1c(Cl)ccc(F)c1C
InChIInChI=1S/C10H10ClFO2/c1-3-14-10(13)9-6(2)8(12)5-4-7(9)11/h4-5H,3H2,1-2H3
InChIKeyGRGIXVQIZNLMJJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 6-chloro-3-fluoro-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461
ethyl 6-chloro-3-formyl-2-methylbenzoate
CID 171006023
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
ethyl 6-chloro-2-fluoro-3-methylsulfanylbenzoate
CID 164894969
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
ethyl 4-(2,5-dichlorophenyl)-2,3,5,6-tetrafluorobenzoate
CID 119005529
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179
ethyl 6-bromo-2-chloro-3-fluorobenzoate
CID 129321242
ethyl 2-(bromomethyl)-3,6-dichlorobenzoate
CID 86723724

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-fluoro-2-methylbenzoate?
The IUPAC name of ethyl 6-chloro-3-fluoro-2-methylbenzoate (CID 130921289) is ethyl 6-chloro-3-fluoro-2-methylbenzoate.
What is the SMILES notation for ethyl 6-chloro-3-fluoro-2-methylbenzoate?
The canonical SMILES for ethyl 6-chloro-3-fluoro-2-methylbenzoate is CCOC(=O)c1c(Cl)ccc(F)c1C.
What is the InChIKey of ethyl 6-chloro-3-fluoro-2-methylbenzoate?
The InChIKey is GRGIXVQIZNLMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-3-14-10(13)9-6(2)8(12)5-4-7(9)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-3-fluoro-2-methylbenzoate?
ethyl 6-chloro-3-fluoro-2-methylbenzoate has a molecular weight of 216.64 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-fluoro-2-methylbenzoate is sourced from PubChem (CID 130921289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).