2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

C10H8ClFN2O — CID 16768252

IUPAC2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C10H8ClFN2O/c1-6(11)9-13-14-10(15-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyKKENPEGBSJALJW-UHFFFAOYSA-N
MW226.64 g/mol
LogP3.18
Rot. Bonds2

About 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 16768252) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID16768252
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCC(Cl)c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C10H8ClFN2O/c1-6(11)9-13-14-10(15-9)7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyKKENPEGBSJALJW-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-(2,6-difluorophenyl)-1,3,4-oxadiazole
CID 43513099
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 82131404
2-(1-chloroethyl)-5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 82815077
4-bromo-N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methylaniline
CID 41123778
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3,5-dimethoxyaniline
CID 92700747
2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
CID 863664
2-(2-bromo-5-methoxyphenyl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 43513067

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 16768252) is 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is CC(Cl)c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is KKENPEGBSJALJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c1-6(11)9-13-14-10(15-9)7-4-2-3-5-8(7)12/h2-6H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 226.64 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 16768252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).