6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one

C9H16FNO2 — CID 170015744

IUPAC6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one
SMILESCC(C)C1OC(C)(F)C(C)NC1=O
InChIInChI=1S/C9H16FNO2/c1-5(2)7-8(12)11-6(3)9(4,10)13-7/h5-7H,1-4H3,(H,11,12)
InChIKeyHEKIJYDCSWWLDD-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.23
Rot. Bonds1

About 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one

6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one (PubChem CID 170015744) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one
PubChem CID170015744
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one
SMILESCC(C)C1OC(C)(F)C(C)NC1=O
InChIInChI=1S/C9H16FNO2/c1-5(2)7-8(12)11-6(3)9(4,10)13-7/h5-7H,1-4H3,(H,11,12)
InChIKeyHEKIJYDCSWWLDD-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-2,5-dimethylmorpholin-3-one
CID 55303247
(2R,5R)-2,5-dimethylmorpholin-3-one
CID 57974050
Talaromorpholinone
CID 170989504
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
2-methoxy-N-[1-(2-methylpropoxy)propan-2-yl]propanamide
CID 71934271
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
(5R)-2,2-difluoro-5-methyl-6-propan-2-ylmorpholin-3-one
CID 145652599
6-Fluoro-2,5-dimethylmorpholin-3-one
CID 170011839
6-Fluoro-2,5,6-trimethylmorpholin-3-one
CID 170011840
6,6-Difluoro-2,5-di(propan-2-yl)morpholin-3-one
CID 170011841
6,6-Difluoro-2,5-dimethylmorpholin-3-one
CID 170015746
(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione
CID 91141211

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one?
The IUPAC name of 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one (CID 170015744) is 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one?
The canonical SMILES for 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one is CC(C)C1OC(C)(F)C(C)NC1=O.
What is the InChIKey of 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one?
The InChIKey is HEKIJYDCSWWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-5(2)7-8(12)11-6(3)9(4,10)13-7/h5-7H,1-4H3,(H,11,12).
What are the key properties of 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one?
6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one has a molecular weight of 189.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,6-dimethyl-2-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 170015744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).