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

C11H8ClF2N3OS — CID 62859394

IUPAC2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H8ClF2N3OS/c1-2-18-10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3
InChIKeyFFABJGXEFPWKIJ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.35
Rot. Bonds4

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

2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine (PubChem CID 62859394) has the molecular formula C11H8ClF2N3OS and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
PubChem CID62859394
Molecular FormulaC11H8ClF2N3OS
Molecular Weight303.72 g/mol
Exact Mass303.00
IUPAC Name2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Sc2cc(F)ccc2F)n1
InChIInChI=1S/C11H8ClF2N3OS/c1-2-18-10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3
InChIKeyFFABJGXEFPWKIJ-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(2,5-dimethylphenyl)sulfanyl-6-ethoxy-1,3,5-triazine
CID 62859234
2,4-dichloro-6-(2,4-difluorophenyl)sulfanyl-1,3,5-triazine
CID 60726032
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230
2-chloro-4-ethoxy-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1,3,5-triazine
CID 65043148
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734259
2-chloro-4-ethoxy-6-(2,4,5-trifluorophenyl)-1,3,5-triazine
CID 113324560
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine
CID 63402169
2-(2,5-difluorophenyl)sulfanylpyrimidin-4-amine
CID 116798209
4-chloro-6-(2,5-difluorophenyl)sulfanyl-2-methylpyrimidine
CID 55080102
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62859238
6-(2,5-difluorophenyl)sulfanyl-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80884881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine (CID 62859394) is 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(Sc2cc(F)ccc2F)n1.
What is the InChIKey of 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine?
The InChIKey is FFABJGXEFPWKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3OS/c1-2-18-10-15-9(12)16-11(17-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine?
2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine has a molecular weight of 303.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-difluorophenyl)sulfanyl-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 62859394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).