6-fluoro-2,5,6-trimethylmorpholin-3-one

C7H12FNO2 — CID 170011840

IUPAC6-fluoro-2,5,6-trimethylmorpholin-3-one
SMILESCC1OC(C)(F)C(C)NC1=O
InChIInChI=1S/C7H12FNO2/c1-4-6(10)9-5(2)7(3,8)11-4/h4-5H,1-3H3,(H,9,10)
InChIKeyHZPVZPYZGBKFKT-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.60
Rot. Bonds

About 6-fluoro-2,5,6-trimethylmorpholin-3-one

6-fluoro-2,5,6-trimethylmorpholin-3-one (PubChem CID 170011840) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 6-fluoro-2,5,6-trimethylmorpholin-3-one.

Molecular Properties

Compound Name6-fluoro-2,5,6-trimethylmorpholin-3-one
PubChem CID170011840
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name6-fluoro-2,5,6-trimethylmorpholin-3-one
SMILESCC1OC(C)(F)C(C)NC1=O
InChIInChI=1S/C7H12FNO2/c1-4-6(10)9-5(2)7(3,8)11-4/h4-5H,1-3H3,(H,9,10)
InChIKeyHZPVZPYZGBKFKT-UHFFFAOYSA-N
XLogP0.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5,6-trimethylmorpholin-3-one?
The IUPAC name of 6-fluoro-2,5,6-trimethylmorpholin-3-one (CID 170011840) is 6-fluoro-2,5,6-trimethylmorpholin-3-one.
What is the SMILES notation for 6-fluoro-2,5,6-trimethylmorpholin-3-one?
The canonical SMILES for 6-fluoro-2,5,6-trimethylmorpholin-3-one is CC1OC(C)(F)C(C)NC1=O.
What is the InChIKey of 6-fluoro-2,5,6-trimethylmorpholin-3-one?
The InChIKey is HZPVZPYZGBKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-4-6(10)9-5(2)7(3,8)11-4/h4-5H,1-3H3,(H,9,10).
What are the key properties of 6-fluoro-2,5,6-trimethylmorpholin-3-one?
6-fluoro-2,5,6-trimethylmorpholin-3-one has a molecular weight of 161.18 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5,6-trimethylmorpholin-3-one is sourced from PubChem (CID 170011840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).