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

C9H4ClF2N3 — CID 141440382

IUPAC2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine
SMILESFc1cccc(F)c1-c1ncnc(Cl)n1
InChIInChI=1S/C9H4ClF2N3/c10-9-14-4-13-8(15-9)7-5(11)2-1-3-6(7)12/h1-4H
InChIKeyFFWJQCZZGILGJD-UHFFFAOYSA-N
MW227.60 g/mol
LogP2.47
Rot. Bonds1

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

2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine (PubChem CID 141440382) has the molecular formula C9H4ClF2N3 and a molecular weight of 227.60 g/mol. Its IUPAC name is 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine
PubChem CID141440382
Molecular FormulaC9H4ClF2N3
Molecular Weight227.60 g/mol
Exact Mass227.01
IUPAC Name2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine
SMILESFc1cccc(F)c1-c1ncnc(Cl)n1
InChIInChI=1S/C9H4ClF2N3/c10-9-14-4-13-8(15-9)7-5(11)2-1-3-6(7)12/h1-4H
InChIKeyFFWJQCZZGILGJD-UHFFFAOYSA-N
XLogP2.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine (CID 141440382) is 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine is Fc1cccc(F)c1-c1ncnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine?
The InChIKey is FFWJQCZZGILGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N3/c10-9-14-4-13-8(15-9)7-5(11)2-1-3-6(7)12/h1-4H.
What are the key properties of 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine?
2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine has a molecular weight of 227.60 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-difluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 141440382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).