3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole

C10H9ClFNO — CID 102340043

IUPAC3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H9ClFNO/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6H2
InChIKeyDTQVYBYFWMPDPV-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 102340043) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID102340043
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESFCC1CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C10H9ClFNO/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6H2
InChIKeyDTQVYBYFWMPDPV-UHFFFAOYSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole (CID 102340043) is 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole is FCC1CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is DTQVYBYFWMPDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-4,9H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 213.64 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(fluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102340043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).