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

C5H5ClF2N4 — CID 119082838

IUPAC4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(F)(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H5ClF2N4/c1-5(7,8)2-10-3(6)12-4(9)11-2/h1H3,(H2,9,10,11,12)
InChIKeyYOKDMUNVQVVWFZ-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.22
Rot. Bonds1

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

4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 119082838) has the molecular formula C5H5ClF2N4 and a molecular weight of 194.57 g/mol. Its IUPAC name is 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine
PubChem CID119082838
Molecular FormulaC5H5ClF2N4
Molecular Weight194.57 g/mol
Exact Mass194.02
IUPAC Name4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine
SMILESCC(F)(F)c1nc(N)nc(Cl)n1
InChIInChI=1S/C5H5ClF2N4/c1-5(7,8)2-10-3(6)12-4(9)11-2/h1H3,(H2,9,10,11,12)
InChIKeyYOKDMUNVQVVWFZ-UHFFFAOYSA-N
XLogP1.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine (CID 119082838) is 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine is CC(F)(F)c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is YOKDMUNVQVVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF2N4/c1-5(7,8)2-10-3(6)12-4(9)11-2/h1H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 194.57 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,1-difluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 119082838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).