1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one

C9H13F4NO2 — CID 103732773

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCC1(C)CN(C(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C9H13F4NO2/c1-8(2)5-14(3-4-16-8)7(15)9(12,13)6(10)11/h6H,3-5H2,1-2H3
InChIKeyXYTAVQKVGNJHLX-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.52
Rot. Bonds2

About 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one

1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 103732773) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID103732773
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCC1(C)CN(C(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C9H13F4NO2/c1-8(2)5-14(3-4-16-8)7(15)9(12,13)6(10)11/h6H,3-5H2,1-2H3
InChIKeyXYTAVQKVGNJHLX-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-Heptafluorobutyrylmorpholine
CID 544635
2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-1-(morpholin-4-yl)propan-1-one
CID 3457661
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
1-Morpholino-3,3,3-trifluoro-1-propanone
CID 15366087
2,2,3,3-Tetrafluoro-1-morpholin-4-yl-3-(trifluoromethoxy)propan-1-one
CID 2195133
Pentafluoropropionic acid, morpholide
CID 532139
2,2-Bis(trifluoromethyl)-1-morpholin-4-ylbutan-1-one
CID 19577291
3,3,3-Trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one
CID 22964136
1-Propanone, 2,2-difluoro-1-(4-morpholinyl)-
CID 58122781
3,3,3-trifluoro-N,2-dimethyl-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)propanamide
CID 58855379
2,2,3,3-tetrafluoro-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 58855415

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one (CID 103732773) is 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one is CC1(C)CN(C(=O)C(F)(F)C(F)F)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is XYTAVQKVGNJHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c1-8(2)5-14(3-4-16-8)7(15)9(12,13)6(10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one?
1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 243.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 103732773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).