2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole

C10H7ClF2N2O2 — CID 39360983

IUPAC2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(CCl)o2)c(F)c1
InChIInChI=1S/C10H7ClF2N2O2/c11-4-9-14-15-10(17-9)5-16-8-2-1-6(12)3-7(8)13/h1-3H,4-5H2
InChIKeyMAPADWQEWAKQJR-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.67
Rot. Bonds4

About 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 39360983) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID39360983
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Name2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(CCl)o2)c(F)c1
InChIInChI=1S/C10H7ClF2N2O2/c11-4-9-14-15-10(17-9)5-16-8-2-1-6(12)3-7(8)13/h1-3H,4-5H2
InChIKeyMAPADWQEWAKQJR-UHFFFAOYSA-N
XLogP2.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39384244
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 39430952
2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989
2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
CID 91652636
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695794
5-[(2,4-difluorophenoxy)methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 72907937
2-(chloromethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
CID 65101529

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole (CID 39360983) is 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole is Fc1ccc(OCc2nnc(CCl)o2)c(F)c1.
What is the InChIKey of 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is MAPADWQEWAKQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c11-4-9-14-15-10(17-9)5-16-8-2-1-6(12)3-7(8)13/h1-3H,4-5H2.
What are the key properties of 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 260.63 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 39360983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).