2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole

C10H7F3N2O — CID 126507083

IUPAC2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)cc1F
InChIInChI=1S/C10H7F3N2O/c1-5-2-3-6(4-7(5)11)9-14-15-10(16-9)8(12)13/h2-4,8H,1H3
InChIKeyRBLAYFSOYHFNEF-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.12
Rot. Bonds2

About 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 126507083) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
PubChem CID126507083
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(F)F)o2)cc1F
InChIInChI=1S/C10H7F3N2O/c1-5-2-3-6(4-7(5)11)9-14-15-10(16-9)8(12)13/h2-4,8H,1H3
InChIKeyRBLAYFSOYHFNEF-UHFFFAOYSA-N
XLogP3.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[bromo(dideuterio)methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169049732
2-(4-bromo-3-methoxyphenyl)-5-(difluoromethyl)-1,3,4-oxadiazole
CID 170557754
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]propane-1-sulfonamide
CID 150770697
2-[(1R)-1-chloroethyl]-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 86314511
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylhydroxylamine
CID 126545799
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-methylpyridin-2-one
CID 146309641
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368
2-(1-bromopropyl)-5-(3,4-dimethylphenyl)-1,3,4-oxadiazole
CID 62856515
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 146309676
2-(difluoromethyl)-5-[3-fluoro-4-[[3-[2-(3-methylphenyl)ethynyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
CID 178145929
1-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62164275
3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyridine
CID 163831015

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole (CID 126507083) is 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C(F)F)o2)cc1F.
What is the InChIKey of 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is RBLAYFSOYHFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c1-5-2-3-6(4-7(5)11)9-14-15-10(16-9)8(12)13/h2-4,8H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 228.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126507083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).