ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate

C10H8Cl2F2O3 — CID 121228210

IUPACethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C10H8Cl2F2O3/c1-2-16-9(15)5-3-6(11)7(12)4-8(5)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyKPDSEUYAPKVRCZ-UHFFFAOYSA-N
MW285.07 g/mol
LogP3.77
Rot. Bonds4

About ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate

ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate (PubChem CID 121228210) has the molecular formula C10H8Cl2F2O3 and a molecular weight of 285.07 g/mol. Its IUPAC name is ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
PubChem CID121228210
Molecular FormulaC10H8Cl2F2O3
Molecular Weight285.07 g/mol
Exact Mass283.98
IUPAC Nameethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(Cl)c(Cl)cc1OC(F)F
InChIInChI=1S/C10H8Cl2F2O3/c1-2-16-9(15)5-3-6(11)7(12)4-8(5)17-10(13)14/h3-4,10H,2H2,1H3
InChIKeyKPDSEUYAPKVRCZ-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-chloro-2-(difluoromethoxy)-5-fluorobenzoate
CID 171005077
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224
ethyl 4-(chloromethyl)-2-(difluoromethoxy)-5-methylbenzoate
CID 171020023
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
ethyl 4-chloro-5-(difluoromethoxy)-2-formylbenzoate
CID 171005080
ethyl 2-amino-5-(difluoromethoxy)-4-methylbenzoate
CID 171011069
ethyl 2-chloro-6-(difluoromethoxy)-4-fluorobenzoate
CID 171004532
ethyl 5-cyano-2-(difluoromethoxy)-4-fluorobenzoate
CID 134651468
ethyl 4-bromo-3-chloro-5-(difluoromethoxy)benzoate
CID 171006694
ethyl 2-(difluoromethoxy)-4-hydrazinylbenzoate
CID 134642092

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate?
The IUPAC name of ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate (CID 121228210) is ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate.
What is the SMILES notation for ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate?
The canonical SMILES for ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate is CCOC(=O)c1cc(Cl)c(Cl)cc1OC(F)F.
What is the InChIKey of ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate?
The InChIKey is KPDSEUYAPKVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F2O3/c1-2-16-9(15)5-3-6(11)7(12)4-8(5)17-10(13)14/h3-4,10H,2H2,1H3.
What are the key properties of ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate?
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate has a molecular weight of 285.07 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate is sourced from PubChem (CID 121228210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).