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

C13H12ClFN4O — CID 62868281

IUPAC2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCCC3)n2)c1
InChIInChI=1S/C13H12ClFN4O/c14-11-16-12(19-6-1-2-7-19)18-13(17-11)20-10-5-3-4-9(15)8-10/h3-5,8H,1-2,6-7H2
InChIKeyWZZRSNOMLKOBNF-UHFFFAOYSA-N
MW294.72 g/mol
LogP3.06
Rot. Bonds3

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

2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62868281) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62868281
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCCC3)n2)c1
InChIInChI=1S/C13H12ClFN4O/c14-11-16-12(19-6-1-2-7-19)18-13(17-11)20-10-5-3-4-9(15)8-10/h3-5,8H,1-2,6-7H2
InChIKeyWZZRSNOMLKOBNF-UHFFFAOYSA-N
XLogP3.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
CID 2782796
4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
N-(4,6-Diphenoxy-1,3,5-triazin-2-YL)-N,N-diethylamine
CID 686437
2,4-Dichloro-6-(3-fluorophenoxy)-1,3,5-triazine
CID 2782795
N2,N2,N4,N4-tetramethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 21754612
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
4-chloro-N-(phenoxymethyl)-N-propyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 88247314
4-Chloro-6-(2,6-difluorophenoxy)-1,3,5-triazin-2-amine
CID 168220966
4,6-diphenoxy-N,N-di(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 298160
4-Phenoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
CID 129741000
2-Chloro-4-ethoxy-6-(2-fluorophenoxy)-1,3,5-triazine
CID 55124456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62868281) is 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is Fc1cccc(Oc2nc(Cl)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is WZZRSNOMLKOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c14-11-16-12(19-6-1-2-7-19)18-13(17-11)20-10-5-3-4-9(15)8-10/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 294.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).