(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

C11H7ClF2N2O3S — CID 55421061

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C11H7ClF2N2O3S/c12-9-7(15-16-20-9)5-18-10(17)6-3-1-2-4-8(6)19-11(13)14/h1-4,11H,5H2
InChIKeyDAMKJAFRGADALT-UHFFFAOYSA-N
MW320.70 g/mol
LogP3.15
Rot. Bonds5

About (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate

(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (PubChem CID 55421061) has the molecular formula C11H7ClF2N2O3S and a molecular weight of 320.70 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
PubChem CID55421061
Molecular FormulaC11H7ClF2N2O3S
Molecular Weight320.70 g/mol
Exact Mass319.98
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
SMILESO=C(OCc1nnsc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C11H7ClF2N2O3S/c12-9-7(15-16-20-9)5-18-10(17)6-3-1-2-4-8(6)19-11(13)14/h1-4,11H,5H2
InChIKeyDAMKJAFRGADALT-UHFFFAOYSA-N
XLogP3.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate (CID 55421061) is (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is O=C(OCc1nnsc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
The InChIKey is DAMKJAFRGADALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O3S/c12-9-7(15-16-20-9)5-18-10(17)6-3-1-2-4-8(6)19-11(13)14/h1-4,11H,5H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate?
(5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate has a molecular weight of 320.70 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55421061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).