4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine

C10H12ClF3N4 — CID 113434047

IUPAC4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4/c11-8-16-7(17-9(15)18-8)5-3-1-2-4-6(5)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17,18)
InChIKeyHNKRCSIPZAPUOY-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.94
Rot. Bonds1

About 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine

4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine (PubChem CID 113434047) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
PubChem CID113434047
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4/c11-8-16-7(17-9(15)18-8)5-3-1-2-4-6(5)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17,18)
InChIKeyHNKRCSIPZAPUOY-UHFFFAOYSA-N
XLogP2.94
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
6-chloro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-4-amine
CID 104622206
4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
4-chloro-6-(2,2-dimethylcyclopentyl)-1,3,5-triazin-2-amine
CID 107186454
3-cyclopentyl-5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole
CID 104622352
4-methyl-3-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazol-5-amine
CID 104622303
4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine
CID 138974253
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine
CID 83240446
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 82752450
5-[2-(trifluoromethyl)cyclohexyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 113434049
2-[5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 113433999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine (CID 113434047) is 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine?
The InChIKey is HNKRCSIPZAPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-8-16-7(17-9(15)18-8)5-3-1-2-4-6(5)10(12,13)14/h5-6H,1-4H2,(H2,15,16,17,18).
What are the key properties of 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine has a molecular weight of 280.68 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(trifluoromethyl)cyclohexyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 113434047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).