6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine

C9H13F2N5 — CID 112681579

IUPAC6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H13F2N5/c10-9(11)3-1-5(2-4-9)6-14-7(12)16-8(13)15-6/h5H,1-4H2,(H4,12,13,14,15,16)
InChIKeyKPFSCOZHGVCAJZ-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.33
Rot. Bonds1

About 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine

6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681579) has the molecular formula C9H13F2N5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
PubChem CID112681579
Molecular FormulaC9H13F2N5
Molecular Weight229.23 g/mol
Exact Mass229.11
IUPAC Name6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C9H13F2N5/c10-9(11)3-1-5(2-4-9)6-14-7(12)16-8(13)15-6/h5H,1-4H2,(H4,12,13,14,15,16)
InChIKeyKPFSCOZHGVCAJZ-UHFFFAOYSA-N
XLogP1.33
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine with MolForge

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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-(3,3,4,4,5,5,5-Heptafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512646
6-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656
6-(4,4,5,5,5-Pentafluoropentyl)-1,3,5-triazine-2,4-diamine
CID 14512658
6-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3,5-triazine-2,4-diamine
CID 14512663
6-(3,3-Difluorocyclobutyl)-1,3,5-triazine-2,4-diamine
CID 127004945
6-(1-Fluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 135367721
6-(6,6,7,7,8,8,9,9,9-Nonafluorononyl)-1,3,5-triazine-2,4-diamine
CID 139685062
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

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine (CID 112681579) is 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KPFSCOZHGVCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5/c10-9(11)3-1-5(2-4-9)6-14-7(12)16-8(13)15-6/h5H,1-4H2,(H4,12,13,14,15,16).
What are the key properties of 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine?
6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).