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

C14H13ClF3N3 — CID 58040421

IUPAC2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESCCCc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-4-11-19-12(21-13(15)20-11)8-9-5-3-6-10(7-9)14(16,17)18/h3,5-7H,2,4,8H2,1H3
InChIKeyFFEFVROMHYFDPG-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.09
Rot. Bonds4

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

2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (PubChem CID 58040421) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
PubChem CID58040421
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
SMILESCCCc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-4-11-19-12(21-13(15)20-11)8-9-5-3-6-10(7-9)14(16,17)18/h3,5-7H,2,4,8H2,1H3
InChIKeyFFEFVROMHYFDPG-UHFFFAOYSA-N
XLogP4.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
5-bromo-4-chloro-6-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66292577
4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039942
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
6-ethyl-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66299270
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
2-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 87237269
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine (CID 58040421) is 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is CCCc1nc(Cl)nc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
The InChIKey is FFEFVROMHYFDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-2-4-11-19-12(21-13(15)20-11)8-9-5-3-6-10(7-9)14(16,17)18/h3,5-7H,2,4,8H2,1H3.
What are the key properties of 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine?
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine has a molecular weight of 315.73 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine is sourced from PubChem (CID 58040421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).