methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate

C14H9ClF2O3 — CID 67227707

IUPACmethyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H9ClF2O3/c1-19-14(18)9-6-5-8(16)7-12(9)20-11-4-2-3-10(15)13(11)17/h2-7H,1H3
InChIKeySDKDVMNJWSMXSL-UHFFFAOYSA-N
MW298.67 g/mol
LogP4.20
Rot. Bonds3

About methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate

methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate (PubChem CID 67227707) has the molecular formula C14H9ClF2O3 and a molecular weight of 298.67 g/mol. Its IUPAC name is methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
PubChem CID67227707
Molecular FormulaC14H9ClF2O3
Molecular Weight298.67 g/mol
Exact Mass298.02
IUPAC Namemethyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H9ClF2O3/c1-19-14(18)9-6-5-8(16)7-12(9)20-11-4-2-3-10(15)13(11)17/h2-7H,1H3
InChIKeySDKDVMNJWSMXSL-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 2-(2,6-dichlorophenyl)-4-fluorobenzoate
CID 119013650
methyl 2-(2-cyano-3-fluorophenoxy)-4-fluorobenzoate
CID 67227369
4-amino-2-(3-chloro-2-fluorophenoxy)benzamide
CID 116688642
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
methyl 2-(4-fluoro-2-methylphenoxy)-4-methylbenzoate
CID 167111923
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
(E)-3-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 116689639

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate?
The IUPAC name of methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate (CID 67227707) is methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate is COC(=O)c1ccc(F)cc1Oc1cccc(Cl)c1F.
What is the InChIKey of methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate?
The InChIKey is SDKDVMNJWSMXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O3/c1-19-14(18)9-6-5-8(16)7-12(9)20-11-4-2-3-10(15)13(11)17/h2-7H,1H3.
What are the key properties of methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate?
methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate has a molecular weight of 298.67 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-2-fluorophenoxy)-4-fluorobenzoate is sourced from PubChem (CID 67227707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).