1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one

C7H9F4NO — CID 122459061

IUPAC1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
SMILESCC(F)(F)C(F)(F)N1CCCC1=O
InChIInChI=1S/C7H9F4NO/c1-6(8,9)7(10,11)12-4-2-3-5(12)13/h2-4H2,1H3
InChIKeyDJBDTEWMOLQHDM-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.86
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one

1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one (PubChem CID 122459061) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
PubChem CID122459061
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC Name1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
SMILESCC(F)(F)C(F)(F)N1CCCC1=O
InChIInChI=1S/C7H9F4NO/c1-6(8,9)7(10,11)12-4-2-3-5(12)13/h2-4H2,1H3
InChIKeyDJBDTEWMOLQHDM-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1-(1,1-difluoropropyl)pyrrolidin-2-one
CID 174968097
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
CID 126987137
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
CID 61344571
1-(3-ethyl-3,5-dimethylnonan-5-yl)pyrrolidin-2-one
CID 91559137

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one?
The IUPAC name of 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one (CID 122459061) is 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one is CC(F)(F)C(F)(F)N1CCCC1=O.
What is the InChIKey of 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one?
The InChIKey is DJBDTEWMOLQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c1-6(8,9)7(10,11)12-4-2-3-5(12)13/h2-4H2,1H3.
What are the key properties of 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one?
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one has a molecular weight of 199.15 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one is sourced from PubChem (CID 122459061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).