2-chloro-4-fluoro-1,3,5-triazine

C3HClFN3 — CID 54066451

IUPAC2-chloro-4-fluoro-1,3,5-triazine
SMILESFc1ncnc(Cl)n1
InChIInChI=1S/C3HClFN3/c4-2-6-1-7-3(5)8-2/h1H
InChIKeyMDIKSAUHBPRNTL-UHFFFAOYSA-N
MW133.51 g/mol
LogP0.66
Rot. Bonds

About 2-chloro-4-fluoro-1,3,5-triazine

2-chloro-4-fluoro-1,3,5-triazine (PubChem CID 54066451) has the molecular formula C3HClFN3 and a molecular weight of 133.51 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-fluoro-1,3,5-triazine
PubChem CID54066451
Molecular FormulaC3HClFN3
Molecular Weight133.51 g/mol
Exact Mass132.98
IUPAC Name2-chloro-4-fluoro-1,3,5-triazine
SMILESFc1ncnc(Cl)n1
InChIInChI=1S/C3HClFN3/c4-2-6-1-7-3(5)8-2/h1H
InChIKeyMDIKSAUHBPRNTL-UHFFFAOYSA-N
XLogP0.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.51
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazine
CID 9262
2,4-Dichloro-1,3,5-triazine
CID 17810
1,3,5-Triazin-2-amine, 4-chloro-
CID 24381
(~2~H_3_)-1,3,5-Triazine
CID 16217608
2-Chloro-1,3,5-triazine
CID 5215566
2,4-Difluoro-1,3,5-triazine
CID 20062980
Amino-fluoro-s-triazine
CID 20081031
2-Fluoro-1,3,5-triazine
CID 21219660
1,3,5-Triazine hydrochloride
CID 17876122
2-Fluoro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104341
2-Chloro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104351
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1,3,5-triazine?
The IUPAC name of 2-chloro-4-fluoro-1,3,5-triazine (CID 54066451) is 2-chloro-4-fluoro-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-fluoro-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-fluoro-1,3,5-triazine is Fc1ncnc(Cl)n1.
What is the InChIKey of 2-chloro-4-fluoro-1,3,5-triazine?
The InChIKey is MDIKSAUHBPRNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClFN3/c4-2-6-1-7-3(5)8-2/h1H.
What are the key properties of 2-chloro-4-fluoro-1,3,5-triazine?
2-chloro-4-fluoro-1,3,5-triazine has a molecular weight of 133.51 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1,3,5-triazine is sourced from PubChem (CID 54066451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).