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

C11H9ClFN3 — CID 107995852

IUPAC3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
SMILESFc1cc(-c2nncn2C2CC2)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c12-9-4-1-7(5-10(9)13)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyJTRNFZAKNUIYHM-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.07
Rot. Bonds2

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

3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole (PubChem CID 107995852) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
PubChem CID107995852
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
SMILESFc1cc(-c2nncn2C2CC2)ccc1Cl
InChIInChI=1S/C11H9ClFN3/c12-9-4-1-7(5-10(9)13)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2
InChIKeyJTRNFZAKNUIYHM-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

4-cyclopropyl-3-(3,4-dimethylphenyl)-1,2,4-triazole
CID 115394164
3-(4-chloro-2,5-difluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 82773685
3-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 115394081
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)anilino]ethanol
CID 62696230
3-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62696432
4-cyclopropyl-3-(4-methyl-3-nitrophenyl)-1,2,4-triazole
CID 115394156
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 55108572
ethyl 4-[3-(4-chlorophenyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate
CID 118167079
4-cyclopropyl-3-(1H-pyrazol-4-yl)-1,2,4-triazole
CID 136935234
5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62710580
8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 107989241

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole (CID 107995852) is 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole is Fc1cc(-c2nncn2C2CC2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
The InChIKey is JTRNFZAKNUIYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-9-4-1-7(5-10(9)13)11-15-14-6-16(11)8-2-3-8/h1,4-6,8H,2-3H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole?
3-(4-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-(4-chloro-3-fluorophenyl)-4-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 107995852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).