4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride

C10H4ClF3N2O2 — CID 178112442

IUPAC4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2noc(C(F)F)n2)cc1F
InChIInChI=1S/C10H4ClF3N2O2/c11-7(17)5-2-1-4(3-6(5)12)9-15-10(8(13)14)18-16-9/h1-3,8H
InChIKeyVRSSYLQXZGBUEK-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.19
Rot. Bonds3

About 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride

4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride (PubChem CID 178112442) has the molecular formula C10H4ClF3N2O2 and a molecular weight of 276.60 g/mol. Its IUPAC name is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride.

Molecular Properties

Compound Name4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride
PubChem CID178112442
Molecular FormulaC10H4ClF3N2O2
Molecular Weight276.60 g/mol
Exact Mass275.99
IUPAC Name4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride
SMILESO=C(Cl)c1ccc(-c2noc(C(F)F)n2)cc1F
InChIInChI=1S/C10H4ClF3N2O2/c11-7(17)5-2-1-4(3-6(5)12)9-15-10(8(13)14)18-16-9/h1-3,8H
InChIKeyVRSSYLQXZGBUEK-UHFFFAOYSA-N
XLogP3.19
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344241
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344808
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 107923151
2-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19582150
1-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-3-methylbutan-2-one
CID 161460152
(S)-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832497
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 6-chloropyridine-3-carboxylate
CID 55546930
1-[(1S)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pentan-2-one
CID 160778320
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344244

Frequently Asked Questions

What is the IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride?
The IUPAC name of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride (CID 178112442) is 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride.
What is the SMILES notation for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride?
The canonical SMILES for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride is O=C(Cl)c1ccc(-c2noc(C(F)F)n2)cc1F.
What is the InChIKey of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride?
The InChIKey is VRSSYLQXZGBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O2/c11-7(17)5-2-1-4(3-6(5)12)9-15-10(8(13)14)18-16-9/h1-3,8H.
What are the key properties of 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride?
4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride has a molecular weight of 276.60 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoyl chloride is sourced from PubChem (CID 178112442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).