3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one

C10H15F4NO — CID 58364479

IUPAC3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C10H15F4NO/c1-8(2,3)4-7(16)15-5-9(11,12)10(13,14)6-15/h4-6H2,1-3H3
InChIKeyFTNDBHNTHAMZFK-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.54
Rot. Bonds1

About 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one

3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one (PubChem CID 58364479) has the molecular formula C10H15F4NO and a molecular weight of 241.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
PubChem CID58364479
Molecular FormulaC10H15F4NO
Molecular Weight241.23 g/mol
Exact Mass241.11
IUPAC Name3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CC(F)(F)C(F)(F)C1
InChIInChI=1S/C10H15F4NO/c1-8(2,3)4-7(16)15-5-9(11,12)10(13,14)6-15/h4-6H2,1-3H3
InChIKeyFTNDBHNTHAMZFK-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-1-pyrrolidin-1-ylbutan-1-one
CID 326528
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 574640
3,3,3-Trifluoro-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 146165161
2,2-Dimethyl-1-pyrrolidin-1-ylbutan-1-one
CID 4629658
N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide
CID 3326098
(2S)-1-(3,3-dimethylpyrrolidin-1-yl)-4,4-difluoro-2-methylbutan-1-one
CID 129348696
N,N-diethyl-3,3,4,4,4-pentafluoro-2-methylbutanamide
CID 23236512
1,3,4-Trimethyl-3,4-bis(trifluoromethyl)pyrrolidine-2,5-dione
CID 21049780
2-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)butanamide
CID 57981547
1-(3-Fluoro-3-methylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 58116615
1-(3-Fluoropyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 58116619
1-(3,3-Difluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 58116662

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one (CID 58364479) is 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one is CC(C)(C)CC(=O)N1CC(F)(F)C(F)(F)C1.
What is the InChIKey of 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one?
The InChIKey is FTNDBHNTHAMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4NO/c1-8(2,3)4-7(16)15-5-9(11,12)10(13,14)6-15/h4-6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one?
3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one has a molecular weight of 241.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 58364479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).