4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

C10H8F3N3O2S — CID 63595469

IUPAC4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(OC(F)F)c(F)cc2N)o1
InChIInChI=1S/C10H8F3N3O2S/c1-4-15-16-10(17-4)19-8-3-7(18-9(12)13)5(11)2-6(8)14/h2-3,9H,14H2,1H3
InChIKeyKFHPELTUZLEBCM-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.85
Rot. Bonds4

About 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline

4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (PubChem CID 63595469) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
PubChem CID63595469
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline
SMILESCc1nnc(Sc2cc(OC(F)F)c(F)cc2N)o1
InChIInChI=1S/C10H8F3N3O2S/c1-4-15-16-10(17-4)19-8-3-7(18-9(12)13)5(11)2-6(8)14/h2-3,9H,14H2,1H3
InChIKeyKFHPELTUZLEBCM-UHFFFAOYSA-N
XLogP2.85
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline (CID 63595469) is 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is Cc1nnc(Sc2cc(OC(F)F)c(F)cc2N)o1.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
The InChIKey is KFHPELTUZLEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-4-15-16-10(17-4)19-8-3-7(18-9(12)13)5(11)2-6(8)14/h2-3,9H,14H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline?
4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline has a molecular weight of 291.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 63595469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).