2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine

C13H11ClF3N3O — CID 58039427

IUPAC2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3O/c1-2-21-12-19-10(18-11(14)20-12)7-8-4-3-5-9(6-8)13(15,16)17/h3-6H,2,7H2,1H3
InChIKeyXHVSCKBUAYUIOG-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine

2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (PubChem CID 58039427) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
PubChem CID58039427
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11ClF3N3O/c1-2-21-12-19-10(18-11(14)20-12)7-8-4-3-5-9(6-8)13(15,16)17/h3-6H,2,7H2,1H3
InChIKeyXHVSCKBUAYUIOG-UHFFFAOYSA-N
XLogP3.53
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
3-[[4-ethoxy-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]methyl]benzamide
CID 91245049
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
2-chloro-4-ethoxy-6-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 102752863
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039942
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
methyl 4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]benzoate
CID 58222965
2-[2-(1H-inden-5-yl)ethyl]-4-(2,2,2-trifluoroethoxy)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040309
5-(3-ethoxycyclobutyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 126805916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (CID 58039427) is 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is CCOc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The InChIKey is XHVSCKBUAYUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-2-21-12-19-10(18-11(14)20-12)7-8-4-3-5-9(6-8)13(15,16)17/h3-6H,2,7H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine has a molecular weight of 317.70 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is sourced from PubChem (CID 58039427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).