2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione

C14H14Cl2FN3O3 — CID 14747832

IUPAC2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione
SMILESCC(C)Oc1cc(-n2ncc(=O)n(CCF)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3O3/c1-8(2)23-12-6-11(9(15)5-10(12)16)20-14(22)19(4-3-17)13(21)7-18-20/h5-8H,3-4H2,1-2H3
InChIKeyLRYFBHOYIBWWKG-UHFFFAOYSA-N
MW362.19 g/mol
LogP2.46
Rot. Bonds5

About 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione

2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione (PubChem CID 14747832) has the molecular formula C14H14Cl2FN3O3 and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione
PubChem CID14747832
Molecular FormulaC14H14Cl2FN3O3
Molecular Weight362.19 g/mol
Exact Mass361.04
IUPAC Name2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione
SMILESCC(C)Oc1cc(-n2ncc(=O)n(CCF)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2FN3O3/c1-8(2)23-12-6-11(9(15)5-10(12)16)20-14(22)19(4-3-17)13(21)7-18-20/h5-8H,3-4H2,1-2H3
InChIKeyLRYFBHOYIBWWKG-UHFFFAOYSA-N
XLogP2.46
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione (CID 14747832) is 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione is CC(C)Oc1cc(-n2ncc(=O)n(CCF)c2=O)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is LRYFBHOYIBWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O3/c1-8(2)23-12-6-11(9(15)5-10(12)16)20-14(22)19(4-3-17)13(21)7-18-20/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione?
2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 362.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4-(2-fluoroethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 14747832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).