1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one

C7H9F4NO — CID 135019481

IUPAC1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one
SMILESCN1C(=O)CCC1C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO/c1-12-4(2-3-5(12)13)7(10,11)6(8)9/h4,6H,2-3H2,1H3
InChIKeyFETGIYJVNUQZGN-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.51
Rot. Bonds2

About 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one

1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one (PubChem CID 135019481) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one
PubChem CID135019481
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC Name1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one
SMILESCN1C(=O)CCC1C(F)(F)C(F)F
InChIInChI=1S/C7H9F4NO/c1-12-4(2-3-5(12)13)7(10,11)6(8)9/h4,6H,2-3H2,1H3
InChIKeyFETGIYJVNUQZGN-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one (CID 135019481) is 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one is CN1C(=O)CCC1C(F)(F)C(F)F.
What is the InChIKey of 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one?
The InChIKey is FETGIYJVNUQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c1-12-4(2-3-5(12)13)7(10,11)6(8)9/h4,6H,2-3H2,1H3.
What are the key properties of 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one?
1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one has a molecular weight of 199.15 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 135019481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).