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

C4H6FNO — CID 172771134

IUPAC2-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1=NCCO1
InChIInChI=1S/C4H6FNO/c5-3-4-6-1-2-7-4/h1-3H2
InChIKeyMYTVOLFHXLMPAE-UHFFFAOYSA-N
MW103.10 g/mol
LogP0.38
Rot. Bonds1

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

2-(fluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 172771134) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID172771134
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name2-(fluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESFCC1=NCCO1
InChIInChI=1S/C4H6FNO/c5-3-4-6-1-2-7-4/h1-3H2
InChIKeyMYTVOLFHXLMPAE-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 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole (CID 172771134) is 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole is FCC1=NCCO1.
What is the InChIKey of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is MYTVOLFHXLMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c5-3-4-6-1-2-7-4/h1-3H2.
What are the key properties of 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole?
2-(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 2-(fluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 172771134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).