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

C10H7ClFN3OS — CID 55124174

IUPAC2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C10H7ClFN3OS/c1-16-9-13-8(11)14-10(15-9)17-7-5-3-2-4-6(7)12/h2-5H,1H3
InChIKeyUDPKHQNDZSBUNZ-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.82
Rot. Bonds3

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

2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine (PubChem CID 55124174) has the molecular formula C10H7ClFN3OS and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
PubChem CID55124174
Molecular FormulaC10H7ClFN3OS
Molecular Weight271.70 g/mol
Exact Mass271.00
IUPAC Name2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Sc2ccccc2F)n1
InChIInChI=1S/C10H7ClFN3OS/c1-16-9-13-8(11)14-10(15-9)17-7-5-3-2-4-6(7)12/h2-5H,1H3
InChIKeyUDPKHQNDZSBUNZ-UHFFFAOYSA-N
XLogP2.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine (CID 55124174) is 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Sc2ccccc2F)n1.
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
The InChIKey is UDPKHQNDZSBUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3OS/c1-16-9-13-8(11)14-10(15-9)17-7-5-3-2-4-6(7)12/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine has a molecular weight of 271.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenyl)sulfanyl-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 55124174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).