3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole

C11H9ClFN3 — CID 115394081

IUPAC3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
SMILESFc1cccc(-c2nncn2C2CC2)c1Cl
InChIInChI=1S/C11H9ClFN3/c12-10-8(2-1-3-9(10)13)11-15-14-6-16(11)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeySHUWGYYSOYMFHW-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.07
Rot. Bonds2

About 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole

3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole (PubChem CID 115394081) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
PubChem CID115394081
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
SMILESFc1cccc(-c2nncn2C2CC2)c1Cl
InChIInChI=1S/C11H9ClFN3/c12-10-8(2-1-3-9(10)13)11-15-14-6-16(11)7-4-5-7/h1-3,6-7H,4-5H2
InChIKeySHUWGYYSOYMFHW-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2,5-difluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 82773685
3-(2-bromo-3-methylphenyl)-4-cyclopropyl-1,2,4-triazole
CID 107984344
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-methylaniline
CID 62694901
3-(bromomethyl)-5-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 115399287
3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 107995852
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62696432
3-(1-benzothiophen-3-yl)-4-cyclopropyl-1,2,4-triazole
CID 115394139
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-N-methylaniline
CID 62710243
2-(4-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoroaniline
CID 62709909
6-cyclopropyl-1-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-fluorophenyl]-3-pyridin-4-yl-2H-pyridine
CID 141287066
2-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazole
CID 130052550
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
CID 62696230

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole (CID 115394081) is 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole is Fc1cccc(-c2nncn2C2CC2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The InChIKey is SHUWGYYSOYMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-10-8(2-1-3-9(10)13)11-15-14-6-16(11)7-4-5-7/h1-3,6-7H,4-5H2.
What are the key properties of 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole has a molecular weight of 237.67 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 115394081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).