5-(difluoromethyl)-2,2-dimethylmorpholin-3-one

C7H11F2NO2 — CID 150081383

IUPAC5-(difluoromethyl)-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(C(F)F)NC1=O
InChIInChI=1S/C7H11F2NO2/c1-7(2)6(11)10-4(3-12-7)5(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyDRIHUPYDJXMZKN-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.55
Rot. Bonds1

About 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one

5-(difluoromethyl)-2,2-dimethylmorpholin-3-one (PubChem CID 150081383) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2,2-dimethylmorpholin-3-one
PubChem CID150081383
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name5-(difluoromethyl)-2,2-dimethylmorpholin-3-one
SMILESCC1(C)OCC(C(F)F)NC1=O
InChIInChI=1S/C7H11F2NO2/c1-7(2)6(11)10-4(3-12-7)5(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyDRIHUPYDJXMZKN-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-2,5-dimethylmorpholin-3-one
CID 55303247
3-Morpholinone, 6-(trifluoromethyl)-
CID 54595321
(2R,5R)-2,5-dimethylmorpholin-3-one
CID 57974050
5-(Trifluoromethyl)morpholin-3-one
CID 54595323
2-Methyl-6-(trifluoromethyl)morpholin-3-one
CID 73994585
6-(Difluoromethyl)morpholin-3-one
CID 178200561
N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide
CID 61736280
5-(Fluoromethyl)morpholin-3-one
CID 83854137
5-(Difluoromethyl)morpholin-3-one
CID 84716430
(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87995068
(5R)-5-(trifluoromethyl)morpholin-3-one
CID 95396540
(5S)-5-(difluoromethyl)morpholin-3-one
CID 105429492

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one?
The IUPAC name of 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one (CID 150081383) is 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one?
The canonical SMILES for 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one is CC1(C)OCC(C(F)F)NC1=O.
What is the InChIKey of 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one?
The InChIKey is DRIHUPYDJXMZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-7(2)6(11)10-4(3-12-7)5(8)9/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one?
5-(difluoromethyl)-2,2-dimethylmorpholin-3-one has a molecular weight of 179.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,2-dimethylmorpholin-3-one is sourced from PubChem (CID 150081383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).