(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C6H8F3NO — CID 67117078

IUPAC(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CC(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyNWIBKRSLWFKLIG-SCSAIBSYSA-N
MW167.13 g/mol
LogP1.07
Rot. Bonds1

About (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 67117078) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID67117078
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CC(F)(F)F)CN1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)2-4-1-5(11)10-3-4/h4H,1-3H2,(H,10,11)/t4-/m1/s1
InChIKeyNWIBKRSLWFKLIG-SCSAIBSYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-2-pyrrolidinone
CID 18442682
(5S)-5-(Trifluoromethyl)pyrrolidin-2-one
CID 56647382
4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
(5R)-5-(trifluoromethyl)pyrrolidin-2-one
CID 66570764
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 (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 67117078) is (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C[C@H](CC(F)(F)F)CN1.
What is the InChIKey of (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is NWIBKRSLWFKLIG-SCSAIBSYSA-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)/t4-/m1/s1.
What are the key properties of (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67117078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).