2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

C20H23F6N3 — CID 17344587

IUPAC2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCCCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1C1CCCC1
InChIInChI=1S/C20H23F6N3/c1-2-3-13-16-27-18(19(21,22)23,20(24,25)26)28-17(14-9-5-4-6-10-14)29(16)15-11-7-8-12-15/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyCKCCMVIGDDVVOO-UHFFFAOYSA-N
MW419.41 g/mol
LogP6.10
Rot. Bonds5

About 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine

2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 17344587) has the molecular formula C20H23F6N3 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID17344587
Molecular FormulaC20H23F6N3
Molecular Weight419.41 g/mol
Exact Mass419.18
IUPAC Name2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
SMILESCCCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1C1CCCC1
InChIInChI=1S/C20H23F6N3/c1-2-3-13-16-27-18(19(21,22)23,20(24,25)26)28-17(14-9-5-4-6-10-14)29(16)15-11-7-8-12-15/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyCKCCMVIGDDVVOO-UHFFFAOYSA-N
XLogP6.10
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344547
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
CID 17087889
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 29098749
1-benzyl-2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344391
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 17344373
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
4-tert-butyl-N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506287
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 29074607
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 51505877

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine (CID 17344587) is 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is CCCCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)N1C1CCCC1.
What is the InChIKey of 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is CKCCMVIGDDVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F6N3/c1-2-3-13-16-27-18(19(21,22)23,20(24,25)26)28-17(14-9-5-4-6-10-14)29(16)15-11-7-8-12-15/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3.
What are the key properties of 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine?
2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 419.41 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-cyclopentyl-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 17344587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).