(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one

C7H10F3NO2 — CID 58071951

IUPAC(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one
SMILESCO[C@H]([C@H]1CNC(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyDTNQUPXOYCTYAI-INEUFUBQSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds2

About (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one (PubChem CID 58071951) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one
PubChem CID58071951
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one
SMILESCO[C@H]([C@H]1CNC(=O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12)/t4-,6-/m1/s1
InChIKeyDTNQUPXOYCTYAI-INEUFUBQSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[(1S)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one
CID 58072015
(4R)-4-(2,2,2-trifluoro-1-methoxyethyl)pyrrolidin-2-one
CID 58072050
(4R)-4-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-2-one
CID 66713300
(4R)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 66713352
4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 66713353
(4R)-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 66713521
4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 66713522
4-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-2-one
CID 68263778
4-(2,2,2-Trifluoro-1-methoxyethyl)pyrrolidin-2-one
CID 76687131
(R)-4-((R)-3,3-difluoro-1-hydroxypropyl)pyrrolidin-2-one
CID 117842895
4-[(1R)-3,3-difluoro-1-hydroxypropyl]pyrrolidin-2-one
CID 117842896
(4S)-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-2-one
CID 123156531

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one (CID 58071951) is (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one is CO[C@H]([C@H]1CNC(=O)C1)C(F)(F)F.
What is the InChIKey of (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one?
The InChIKey is DTNQUPXOYCTYAI-INEUFUBQSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-13-6(7(8,9)10)4-2-5(12)11-3-4/h4,6H,2-3H2,1H3,(H,11,12)/t4-,6-/m1/s1.
What are the key properties of (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 58071951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).