2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine

C13H11Cl2FN4O — CID 62868931

IUPAC2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN4O/c14-9-7-8(16)3-4-10(9)21-13-18-11(15)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2
InChIKeyMCIUZPMRXZOQRP-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62868931) has the molecular formula C13H11Cl2FN4O and a molecular weight of 329.16 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62868931
Molecular FormulaC13H11Cl2FN4O
Molecular Weight329.16 g/mol
Exact Mass328.03
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)c(Cl)c1
InChIInChI=1S/C13H11Cl2FN4O/c14-9-7-8(16)3-4-10(9)21-13-18-11(15)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2
InChIKeyMCIUZPMRXZOQRP-UHFFFAOYSA-N
XLogP3.71
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
1,3,5-Triazin-2-amine, 4-chloro-N,N-diethyl-6-(3-fluorophenoxy)-
CID 158833
4-chloro-N,N-diethyl-6-(2-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569238
2-(2-Chlorophenoxy)-4,6-difluoro-1,3,5-triazine
CID 13449
3-Bromo-5-(2-chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
CID 134498197
3-(2-Chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
CID 152033051
5-(2-Chlorophenoxy)-1-(2-fluoroethyl)-1,2,4-triazole
CID 152358037
2-Chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
CID 55124411
2,4-Dichloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazine
CID 60726814
2-Chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine
CID 62857140
2-Chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868281
2-Chloro-4-(3-fluorophenoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62868282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62868931) is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is Fc1ccc(Oc2nc(Cl)nc(N3CCCC3)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is MCIUZPMRXZOQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN4O/c14-9-7-8(16)3-4-10(9)21-13-18-11(15)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 329.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).