dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate

C11H10F2O5 — CID 173255270

IUPACdimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1ccc(OC(F)F)c(C(=O)OC)c1
InChIInChI=1S/C11H10F2O5/c1-16-9(14)6-3-4-8(18-11(12)13)7(5-6)10(15)17-2/h3-5,11H,1-2H3
InChIKeyGDFNVZLGKQRULZ-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.86
Rot. Bonds4

About dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate

dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate (PubChem CID 173255270) has the molecular formula C11H10F2O5 and a molecular weight of 260.19 g/mol. Its IUPAC name is dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
PubChem CID173255270
Molecular FormulaC11H10F2O5
Molecular Weight260.19 g/mol
Exact Mass260.05
IUPAC Namedimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1ccc(OC(F)F)c(C(=O)OC)c1
InChIInChI=1S/C11H10F2O5/c1-16-9(14)6-3-4-8(18-11(12)13)7(5-6)10(15)17-2/h3-5,11H,1-2H3
InChIKeyGDFNVZLGKQRULZ-UHFFFAOYSA-N
XLogP1.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
methyl 4-(difluoromethoxy)-3-(trifluoromethoxy)benzoate
CID 170997887
methyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228224
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
methyl 3-(difluoromethoxy)-4-(3-oxopropyl)benzoate
CID 134649793
dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
methyl 5-cyano-2-(difluoromethoxy)-4-methylbenzoate
CID 134646721
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
ethyl 5-(2-chloropropanoyl)-2-(difluoromethoxy)benzoate
CID 134645004
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate (CID 173255270) is dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate is COC(=O)c1ccc(OC(F)F)c(C(=O)OC)c1.
What is the InChIKey of dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate?
The InChIKey is GDFNVZLGKQRULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O5/c1-16-9(14)6-3-4-8(18-11(12)13)7(5-6)10(15)17-2/h3-5,11H,1-2H3.
What are the key properties of dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate?
dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate has a molecular weight of 260.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(difluoromethoxy)benzene-1,3-dicarboxylate is sourced from PubChem (CID 173255270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).