3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole

C12H12F2N2O — CID 177016522

IUPAC3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ncon2)c(C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-3-8-4-5-9(10(6-8)11(13)14)12-15-7-17-16-12/h4-7,11H,2-3H2,1H3
InChIKeyRUBZWKHKPPJCDJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.63
Rot. Bonds4

About 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole

3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole (PubChem CID 177016522) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole
PubChem CID177016522
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2ncon2)c(C(F)F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-3-8-4-5-9(10(6-8)11(13)14)12-15-7-17-16-12/h4-7,11H,2-3H2,1H3
InChIKeyRUBZWKHKPPJCDJ-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(difluoromethyl)-4-propylbenzene
CID 139607010
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
CID 177017245
CID 177017245
5-(difluoromethyl)-2-propylaniline
CID 130537741
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
CID 19008485
4-(3-chloropropyl)-2-(difluoromethyl)-1-methylbenzene
CID 134627557
2-propylanthracene-9,10-dione
CID 22643716
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
3-(2-ethoxy-5-propylphenyl)-1,2-oxazol-5-amine
CID 3764217
1,2-diethoxy-4-propylbenzene
CID 3995471
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole (CID 177016522) is 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole is CCCc1ccc(-c2ncon2)c(C(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole?
The InChIKey is RUBZWKHKPPJCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-3-8-4-5-9(10(6-8)11(13)14)12-15-7-17-16-12/h4-7,11H,2-3H2,1H3.
What are the key properties of 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole?
3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole has a molecular weight of 238.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-propylphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 177016522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).