1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole

C15H13ClF3N5O — CID 118870165

IUPAC1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
SMILESFCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H13ClF3N5O/c16-12-2-1-11(7-13(12)25-15(18)19)24-9-10(21-22-24)8-23-6-5-20-14(23)3-4-17/h1-2,5-7,9,15H,3-4,8H2
InChIKeyQFNOXQXTBCOOIT-UHFFFAOYSA-N
MW371.75 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole

1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole (PubChem CID 118870165) has the molecular formula C15H13ClF3N5O and a molecular weight of 371.75 g/mol. Its IUPAC name is 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole.

Molecular Properties

Compound Name1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
PubChem CID118870165
Molecular FormulaC15H13ClF3N5O
Molecular Weight371.75 g/mol
Exact Mass371.08
IUPAC Name1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
SMILESFCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1
InChIInChI=1S/C15H13ClF3N5O/c16-12-2-1-11(7-13(12)25-15(18)19)24-9-10(21-22-24)8-23-6-5-20-14(23)3-4-17/h1-2,5-7,9,15H,3-4,8H2
InChIKeyQFNOXQXTBCOOIT-UHFFFAOYSA-N
XLogP3.28
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The IUPAC name of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole (CID 118870165) is 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole.
What is the SMILES notation for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The canonical SMILES for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole is FCCc1nccn1Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1.
What is the InChIKey of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The InChIKey is QFNOXQXTBCOOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N5O/c16-12-2-1-11(7-13(12)25-15(18)19)24-9-10(21-22-24)8-23-6-5-20-14(23)3-4-17/h1-2,5-7,9,15H,3-4,8H2.
What are the key properties of 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole has a molecular weight of 371.75 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(difluoromethoxy)phenyl]-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole is sourced from PubChem (CID 118870165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).