2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine

C10H13ClF2N4O — CID 82004971

IUPAC2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H13ClF2N4O/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-6-7(12)13/h7H,1-6H2
InChIKeyYKKHBXNTVSQNMS-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.16
Rot. Bonds4

About 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine

2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine (PubChem CID 82004971) has the molecular formula C10H13ClF2N4O and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine
PubChem CID82004971
Molecular FormulaC10H13ClF2N4O
Molecular Weight278.69 g/mol
Exact Mass278.07
IUPAC Name2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine
SMILESFC(F)COc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C10H13ClF2N4O/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-6-7(12)13/h7H,1-6H2
InChIKeyYKKHBXNTVSQNMS-UHFFFAOYSA-N
XLogP2.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine (CID 82004971) is 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine is FC(F)COc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine?
The InChIKey is YKKHBXNTVSQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N4O/c11-8-14-9(17-4-2-1-3-5-17)16-10(15-8)18-6-7(12)13/h7H,1-6H2.
What are the key properties of 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine?
2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine has a molecular weight of 278.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2-difluoroethoxy)-6-piperidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 82004971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).