propyl 2-chloro-6-fluorobenzoate

C10H10ClFO2 — CID 43389524

IUPACpropyl 2-chloro-6-fluorobenzoate
SMILESCCCOC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyQTMYIAXQVAOUET-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.05
Rot. Bonds3

About propyl 2-chloro-6-fluorobenzoate

propyl 2-chloro-6-fluorobenzoate (PubChem CID 43389524) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is propyl 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Namepropyl 2-chloro-6-fluorobenzoate
PubChem CID43389524
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Namepropyl 2-chloro-6-fluorobenzoate
SMILESCCCOC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyQTMYIAXQVAOUET-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propyl 2-chloro-6-fluorobenzoate 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

propyl 2-fluoro-6-methylbenzoate
CID 135122544
propyl 2-amino-6-fluorobenzoate
CID 43443196
propyl 2-fluoro-6-methoxybenzoate
CID 65433073
[2-(dimethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 17426420
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-chloro-6-fluorobenzoate
CID 9414877
ethyl 2,6-difluorobenzoate
CID 519631
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
CID 115800741
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220

Frequently Asked Questions

What is the IUPAC name of propyl 2-chloro-6-fluorobenzoate?
The IUPAC name of propyl 2-chloro-6-fluorobenzoate (CID 43389524) is propyl 2-chloro-6-fluorobenzoate.
What is the SMILES notation for propyl 2-chloro-6-fluorobenzoate?
The canonical SMILES for propyl 2-chloro-6-fluorobenzoate is CCCOC(=O)c1c(F)cccc1Cl.
What is the InChIKey of propyl 2-chloro-6-fluorobenzoate?
The InChIKey is QTMYIAXQVAOUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-2-6-14-10(13)9-7(11)4-3-5-8(9)12/h3-5H,2,6H2,1H3.
What are the key properties of propyl 2-chloro-6-fluorobenzoate?
propyl 2-chloro-6-fluorobenzoate has a molecular weight of 216.64 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 43389524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).