4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

C7H12FNO2 — CID 155478921

IUPAC4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OCC1CF
InChIInChI=1S/C7H12FNO2/c1-5(2)9-6(3-8)4-11-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyQZXLTUUXBIITIV-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.19
Rot. Bonds2

About 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one

4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 155478921) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID155478921
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OCC1CF
InChIInChI=1S/C7H12FNO2/c1-5(2)9-6(3-8)4-11-7(9)10/h5-6H,3-4H2,1-2H3
InChIKeyQZXLTUUXBIITIV-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one (CID 155478921) is 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)OCC1CF.
What is the InChIKey of 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is QZXLTUUXBIITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(2)9-6(3-8)4-11-7(9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one?
4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 161.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 155478921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).