2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C9H4ClF3N2O — CID 146424963

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nnco2)ccc1Cl
InChIInChI=1S/C9H4ClF3N2O/c10-7-2-1-5(8-15-14-4-16-8)3-6(7)9(11,12)13/h1-4H
InChIKeyWASVOWHKQQFANQ-UHFFFAOYSA-N
MW248.59 g/mol
LogP3.41
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 146424963) has the molecular formula C9H4ClF3N2O and a molecular weight of 248.59 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID146424963
Molecular FormulaC9H4ClF3N2O
Molecular Weight248.59 g/mol
Exact Mass248.00
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nnco2)ccc1Cl
InChIInChI=1S/C9H4ClF3N2O/c10-7-2-1-5(8-15-14-4-16-8)3-6(7)9(11,12)13/h1-4H
InChIKeyWASVOWHKQQFANQ-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 146424963) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1cc(-c2nnco2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is WASVOWHKQQFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O/c10-7-2-1-5(8-15-14-4-16-8)3-6(7)9(11,12)13/h1-4H.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 248.59 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146424963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).