methyl 2,5-difluoro-3-methoxybenzoate

C9H8F2O3 — CID 130786948

IUPACmethyl 2,5-difluoro-3-methoxybenzoate
SMILESCOC(=O)c1cc(F)cc(OC)c1F
InChIInChI=1S/C9H8F2O3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3
InChIKeyDWKWNPFTEKFEMO-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.76
Rot. Bonds2

About methyl 2,5-difluoro-3-methoxybenzoate

methyl 2,5-difluoro-3-methoxybenzoate (PubChem CID 130786948) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2,5-difluoro-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2,5-difluoro-3-methoxybenzoate
PubChem CID130786948
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Namemethyl 2,5-difluoro-3-methoxybenzoate
SMILESCOC(=O)c1cc(F)cc(OC)c1F
InChIInChI=1S/C9H8F2O3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3
InChIKeyDWKWNPFTEKFEMO-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
methyl 3-chloro-2,5-difluorobenzoate
CID 79018120
methyl 2,3-difluoro-5-methoxy-4-methylbenzoate
CID 163198256
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 2-fluoro-5-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxybenzoate
CID 138602367
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 2-[(2-cyanoacetyl)amino]-5-fluoro-3-methoxybenzoate
CID 168523640
methyl 3,5-difluoro-2-methylbenzoate
CID 74890536
methyl 2,3-dichloro-5-fluorobenzoate
CID 121228327
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
CID 171017402
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-difluoro-3-methoxybenzoate?
The IUPAC name of methyl 2,5-difluoro-3-methoxybenzoate (CID 130786948) is methyl 2,5-difluoro-3-methoxybenzoate.
What is the SMILES notation for methyl 2,5-difluoro-3-methoxybenzoate?
The canonical SMILES for methyl 2,5-difluoro-3-methoxybenzoate is COC(=O)c1cc(F)cc(OC)c1F.
What is the InChIKey of methyl 2,5-difluoro-3-methoxybenzoate?
The InChIKey is DWKWNPFTEKFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4H,1-2H3.
What are the key properties of methyl 2,5-difluoro-3-methoxybenzoate?
methyl 2,5-difluoro-3-methoxybenzoate has a molecular weight of 202.16 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-difluoro-3-methoxybenzoate is sourced from PubChem (CID 130786948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).