ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C8H14F3NO — CID 156794396

IUPACethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC.O=C1CCCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO.C2H6/c7-6(8,9)4-10-3-1-2-5(10)11;1-2/h1-4H2;1-2H3
InChIKeyGNSJLFNVUDJJGR-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.20
Rot. Bonds1

About ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 156794396) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID156794396
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Nameethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC.O=C1CCCN1CC(F)(F)F
InChIInChI=1S/C6H8F3NO.C2H6/c7-6(8,9)4-10-3-1-2-5(10)11;1-2/h1-4H2;1-2H3
InChIKeyGNSJLFNVUDJJGR-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 156794396) is ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC.O=C1CCCN1CC(F)(F)F.
What is the InChIKey of ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is GNSJLFNVUDJJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO.C2H6/c7-6(8,9)4-10-3-1-2-5(10)11;1-2/h1-4H2;1-2H3.
What are the key properties of ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 197.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 156794396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).