2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine

C8H9ClF2N4O — CID 148646907

IUPAC2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C8H9ClF2N4O/c1-16-7-13-5(9)12-6(14-7)15-3-2-8(10,11)4-15/h2-4H2,1H3
InChIKeyNLDGEAGZCOXVNH-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.38
Rot. Bonds2

About 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine

2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 148646907) has the molecular formula C8H9ClF2N4O and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID148646907
Molecular FormulaC8H9ClF2N4O
Molecular Weight250.64 g/mol
Exact Mass250.04
IUPAC Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C8H9ClF2N4O/c1-16-7-13-5(9)12-6(14-7)15-3-2-8(10,11)4-15/h2-4H2,1H3
InChIKeyNLDGEAGZCOXVNH-UHFFFAOYSA-N
XLogP1.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine (CID 148646907) is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is NLDGEAGZCOXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N4O/c1-16-7-13-5(9)12-6(14-7)15-3-2-8(10,11)4-15/h2-4H2,1H3.
What are the key properties of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine?
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 250.64 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 148646907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).