4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole

C11H10Cl2FN3 — CID 62399901

IUPAC4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
SMILESFc1cccc(Cl)c1Cn1cc(CCCl)nn1
InChIInChI=1S/C11H10Cl2FN3/c12-5-4-8-6-17(16-15-8)7-9-10(13)2-1-3-11(9)14/h1-3,6H,4-5,7H2
InChIKeyMFWRKQLFKWVMAJ-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.90
Rot. Bonds4

About 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole

4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole (PubChem CID 62399901) has the molecular formula C11H10Cl2FN3 and a molecular weight of 274.13 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
PubChem CID62399901
Molecular FormulaC11H10Cl2FN3
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
SMILESFc1cccc(Cl)c1Cn1cc(CCCl)nn1
InChIInChI=1S/C11H10Cl2FN3/c12-5-4-8-6-17(16-15-8)7-9-10(13)2-1-3-11(9)14/h1-3,6H,4-5,7H2
InChIKeyMFWRKQLFKWVMAJ-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethyl)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazole
CID 62401385
3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
4-(2-chloroethyl)-1-[(4-chloro-3-fluorophenyl)methyl]triazole
CID 107886622
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
1-[(2-chloro-6-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 21282641
4-(2-chloroethyl)-1-[(2,4-difluorophenyl)methyl]triazole
CID 62400097
1-[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444206
4-(2-chloroethyl)-1-(2,6-difluorophenyl)triazole
CID 62399494
4-[[4-(2-chloroethyl)triazol-1-yl]methyl]pyridine
CID 62401771
4-(2-chloroethyl)-1-[(4-ethylphenyl)methyl]triazole
CID 62401767
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole?
The IUPAC name of 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole (CID 62399901) is 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole.
What is the SMILES notation for 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole?
The canonical SMILES for 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole is Fc1cccc(Cl)c1Cn1cc(CCCl)nn1.
What is the InChIKey of 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole?
The InChIKey is MFWRKQLFKWVMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3/c12-5-4-8-6-17(16-15-8)7-9-10(13)2-1-3-11(9)14/h1-3,6H,4-5,7H2.
What are the key properties of 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole?
4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole has a molecular weight of 274.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole is sourced from PubChem (CID 62399901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).