5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole

C9H5ClF2N2OS — CID 43408001

IUPAC5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C9H5ClF2N2OS/c10-9-8(13-14-16-9)4-15-5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyMHNOJFQJRWRGQF-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.05
Rot. Bonds3

About 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole

5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole (PubChem CID 43408001) has the molecular formula C9H5ClF2N2OS and a molecular weight of 262.67 g/mol. Its IUPAC name is 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
PubChem CID43408001
Molecular FormulaC9H5ClF2N2OS
Molecular Weight262.67 g/mol
Exact Mass261.98
IUPAC Name5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2nnsc2Cl)cc1F
InChIInChI=1S/C9H5ClF2N2OS/c10-9-8(13-14-16-9)4-15-5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKeyMHNOJFQJRWRGQF-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole (CID 43408001) is 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole is Fc1ccc(OCc2nnsc2Cl)cc1F.
What is the InChIKey of 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole?
The InChIKey is MHNOJFQJRWRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2OS/c10-9-8(13-14-16-9)4-15-5-1-2-6(11)7(12)3-5/h1-3H,4H2.
What are the key properties of 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole?
5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole has a molecular weight of 262.67 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 43408001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).