3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one

C8H14FNO2 — CID 163649181

IUPAC3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C(=O)OCC1CF
InChIInChI=1S/C8H14FNO2/c1-8(2,3)10-6(4-9)5-12-7(10)11/h6H,4-5H2,1-3H3
InChIKeyIKTZCCZWZQNFNM-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.58
Rot. Bonds1

About 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one

3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 163649181) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID163649181
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C(=O)OCC1CF
InChIInChI=1S/C8H14FNO2/c1-8(2,3)10-6(4-9)5-12-7(10)11/h6H,4-5H2,1-3H3
InChIKeyIKTZCCZWZQNFNM-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 163649181) is 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one is CC(C)(C)N1C(=O)OCC1CF.
What is the InChIKey of 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is IKTZCCZWZQNFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2,3)10-6(4-9)5-12-7(10)11/h6H,4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one?
3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 175.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 163649181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).