6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine

C12H18ClF2N5 — CID 15477563

IUPAC6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(F)(F)Cl)n1)C1CCCCC1
InChIInChI=1S/C12H18ClF2N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20)
InChIKeyWCANSQIFBBFJBS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.12
Rot. Bonds4

About 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine

6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15477563) has the molecular formula C12H18ClF2N5 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15477563
Molecular FormulaC12H18ClF2N5
Molecular Weight305.76 g/mol
Exact Mass305.12
IUPAC Name6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(F)(F)Cl)n1)C1CCCCC1
InChIInChI=1S/C12H18ClF2N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20)
InChIKeyWCANSQIFBBFJBS-UHFFFAOYSA-N
XLogP3.12
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine (CID 15477563) is 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(F)(F)Cl)n1)C1CCCCC1.
What is the InChIKey of 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WCANSQIFBBFJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClF2N5/c1-7(8-5-3-2-4-6-8)17-11-19-9(12(13,14)15)18-10(16)20-11/h7-8H,2-6H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine?
6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 305.76 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-2-N-(1-cyclohexylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15477563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).