2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine

C10H6ClF2N3OS — CID 62859193

IUPAC2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H6ClF2N3OS/c1-17-9-14-8(11)15-10(16-9)18-5-2-3-6(12)7(13)4-5/h2-4H,1H3
InChIKeyUFQUFFZLEGLJIQ-UHFFFAOYSA-N
MW289.69 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine

2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine (PubChem CID 62859193) has the molecular formula C10H6ClF2N3OS and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
PubChem CID62859193
Molecular FormulaC10H6ClF2N3OS
Molecular Weight289.69 g/mol
Exact Mass288.99
IUPAC Name2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H6ClF2N3OS/c1-17-9-14-8(11)15-10(16-9)18-5-2-3-6(12)7(13)4-5/h2-4H,1H3
InChIKeyUFQUFFZLEGLJIQ-UHFFFAOYSA-N
XLogP2.96
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine (CID 62859193) is 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The InChIKey is UFQUFFZLEGLJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3OS/c1-17-9-14-8(11)15-10(16-9)18-5-2-3-6(12)7(13)4-5/h2-4H,1H3.
What are the key properties of 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine has a molecular weight of 289.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-difluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62859193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).