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

C9H16FNO2 — CID 166662060

IUPAC4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC(C)N1C(=O)OCC1CF
InChIInChI=1S/C9H16FNO2/c1-3-4-7(2)11-8(5-10)6-13-9(11)12/h7-8H,3-6H2,1-2H3
InChIKeyXFSQNCIIKHHJEE-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.97
Rot. Bonds4

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

4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one (PubChem CID 166662060) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one
PubChem CID166662060
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one
SMILESCCCC(C)N1C(=O)OCC1CF
InChIInChI=1S/C9H16FNO2/c1-3-4-7(2)11-8(5-10)6-13-9(11)12/h7-8H,3-6H2,1-2H3
InChIKeyXFSQNCIIKHHJEE-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one (CID 166662060) is 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one is CCCC(C)N1C(=O)OCC1CF.
What is the InChIKey of 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XFSQNCIIKHHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-3-4-7(2)11-8(5-10)6-13-9(11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one?
4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 189.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 166662060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).