4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one

C6H8F3NO — CID 53629170

IUPAC4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC1C(CNC1=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11)
InChIKeyNWIBKRSLWFKLIG-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.00
Rot. Bonds1

About 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one

4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one (PubChem CID 53629170) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one
PubChem CID53629170
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESC1C(CNC1=O)CC(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11)
InChIKeyNWIBKRSLWFKLIG-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity166

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-2-pyrrolidinone
CID 18442682
(5S)-5-(Trifluoromethyl)pyrrolidin-2-one
CID 56647382
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
4-Ethyl-2-pyrrolidinone
CID 10866300
4,5-Dimethylpyrrolidin-2-one
CID 14435951
6,6-Difluoro-3-azabicyclo(3.1.0)hexan-2-one
CID 25072955
4-(Trifluoromethyl)pyrrolidin-2-one
CID 67195107
4-(Difluoromethyl)pyrrolidin-2-one
CID 67253829
2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-, (4R)-
CID 68353997
4-(2-Aminoethyl)pyrrolidin-2-one hydrochloride
CID 118295348
2,2-Difluoro-6-azaspiro[3.4]octan-5-one
CID 155351519

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one (CID 53629170) is 4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one is C1C(CNC1=O)CC(F)(F)F.
What is the InChIKey of 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one?
The InChIKey is NWIBKRSLWFKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11).
What are the key properties of 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one?
4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-Trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 53629170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).