2-fluoro-4-hexyl-1,3-oxazole

C9H14FNO — CID 91211469

IUPAC2-fluoro-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(F)n1
InChIInChI=1S/C9H14FNO/c1-2-3-4-5-6-8-7-12-9(10)11-8/h7H,2-6H2,1H3
InChIKeyQLYSCLFBLXJDTR-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.94
Rot. Bonds5

About 2-fluoro-4-hexyl-1,3-oxazole

2-fluoro-4-hexyl-1,3-oxazole (PubChem CID 91211469) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-4-hexyl-1,3-oxazole.

Molecular Properties

Compound Name2-fluoro-4-hexyl-1,3-oxazole
PubChem CID91211469
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-fluoro-4-hexyl-1,3-oxazole
SMILESCCCCCCc1coc(F)n1
InChIInChI=1S/C9H14FNO/c1-2-3-4-5-6-8-7-12-9(10)11-8/h7H,2-6H2,1H3
InChIKeyQLYSCLFBLXJDTR-UHFFFAOYSA-N
XLogP2.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hexyl-1,3-oxazole?
The IUPAC name of 2-fluoro-4-hexyl-1,3-oxazole (CID 91211469) is 2-fluoro-4-hexyl-1,3-oxazole.
What is the SMILES notation for 2-fluoro-4-hexyl-1,3-oxazole?
The canonical SMILES for 2-fluoro-4-hexyl-1,3-oxazole is CCCCCCc1coc(F)n1.
What is the InChIKey of 2-fluoro-4-hexyl-1,3-oxazole?
The InChIKey is QLYSCLFBLXJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-3-4-5-6-8-7-12-9(10)11-8/h7H,2-6H2,1H3.
What are the key properties of 2-fluoro-4-hexyl-1,3-oxazole?
2-fluoro-4-hexyl-1,3-oxazole has a molecular weight of 171.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hexyl-1,3-oxazole is sourced from PubChem (CID 91211469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).