4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine

C9H11ClF2N4 — CID 83241027

IUPAC4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H11ClF2N4/c10-7-14-6(15-8(13)16-7)5-1-3-9(11,12)4-2-5/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyVIJSJNHCDGLBIU-UHFFFAOYSA-N
MW248.66 g/mol
LogP2.40
Rot. Bonds1

About 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine

4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 83241027) has the molecular formula C9H11ClF2N4 and a molecular weight of 248.66 g/mol. Its IUPAC name is 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine
PubChem CID83241027
Molecular FormulaC9H11ClF2N4
Molecular Weight248.66 g/mol
Exact Mass248.06
IUPAC Name4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H11ClF2N4/c10-7-14-6(15-8(13)16-7)5-1-3-9(11,12)4-2-5/h5H,1-4H2,(H2,13,14,15,16)
InChIKeyVIJSJNHCDGLBIU-UHFFFAOYSA-N
XLogP2.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-cyclohexyl-1,3,5-triazin-2-amine
CID 66520693
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-1,3,5-triazine-2,4-diamine
CID 14512644
6-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
CID 14512663
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
CID 139685065
6-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-[[1-(Trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220346
6-[[1-(Trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220358
6-(3,3-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 175495116
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine (CID 83241027) is 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is VIJSJNHCDGLBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N4/c10-7-14-6(15-8(13)16-7)5-1-3-9(11,12)4-2-5/h5H,1-4H2,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine?
4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 248.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,4-difluorocyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).