3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole

C10H9ClFNO — CID 56635234

IUPAC3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(CCl)NO2)cc1
InChIInChI=1S/C10H9ClFNO/c11-6-9-5-10(14-13-9)7-1-3-8(12)4-2-7/h1-5,10,13H,6H2
InChIKeyVPPUMWGIFHSBFM-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.52
Rot. Bonds2

About 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole

3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 56635234) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID56635234
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(CCl)NO2)cc1
InChIInChI=1S/C10H9ClFNO/c11-6-9-5-10(14-13-9)7-1-3-8(12)4-2-7/h1-5,10,13H,6H2
InChIKeyVPPUMWGIFHSBFM-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 56635234) is 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2C=C(CCl)NO2)cc1.
What is the InChIKey of 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is VPPUMWGIFHSBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-6-9-5-10(14-13-9)7-1-3-8(12)4-2-7/h1-5,10,13H,6H2.
What are the key properties of 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole?
3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 213.64 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 56635234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).