2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine

C12H10Cl2FN3O — CID 115504443

IUPAC2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2FN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-3-4-9(15)8(13)5-7/h3-6H,1-2H3
InChIKeyBPSUYCXWFWRBPG-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 115504443) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID115504443
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10Cl2FN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-3-4-9(15)8(13)5-7/h3-6H,1-2H3
InChIKeyBPSUYCXWFWRBPG-UHFFFAOYSA-N
XLogP3.77
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
N-[[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 63089028
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 114734361
1-[2-(3-chloro-4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 55182363
2-chloro-4-(3-chloro-4-fluorophenyl)-6-pyrazol-1-yl-1,3,5-triazine
CID 115504467
2-chloro-4-(3,4-dichlorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
CID 62869132
3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 63088370
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82802523
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63092751
4-chloro-6-(3-propan-2-yloxyphenyl)-1,3,5-triazin-2-amine
CID 83240232
4-(3-chloro-4-fluorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine (CID 115504443) is 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is BPSUYCXWFWRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-6(2)19-12-17-10(16-11(14)18-12)7-3-4-9(15)8(13)5-7/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 302.14 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 115504443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).