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

C4H6FNO — CID 175668215

IUPAC5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=CO1
InChIInChI=1S/C4H6FNO/c5-1-4-2-6-3-7-4/h3-4H,1-2H2
InChIKeyIGUPBXCRMORFGZ-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.38
Rot. Bonds1

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

5-(fluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 175668215) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID175668215
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name5-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1CN=CO1
InChIInChI=1S/C4H6FNO/c5-1-4-2-6-3-7-4/h3-4H,1-2H2
InChIKeyIGUPBXCRMORFGZ-UHFFFAOYSA-N
XLogP0.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole (CID 175668215) is 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole is FCC1CN=CO1.
What is the InChIKey of 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is IGUPBXCRMORFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c5-1-4-2-6-3-7-4/h3-4H,1-2H2.
What are the key properties of 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
5-(fluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 103.10 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175668215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).