2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide

C7H11F3N2O2 — CID 130816451

IUPAC2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@@H]1CNC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-14-5-3-11-2-4(5)12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5+/m0/s1
InChIKeyHLHIPHTXSVFRPC-CRCLSJGQSA-N
MW212.17 g/mol
LogP-0.35
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide (PubChem CID 130816451) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
PubChem CID130816451
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@@H]1CNC[C@@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-14-5-3-11-2-4(5)12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5+/m0/s1
InChIKeyHLHIPHTXSVFRPC-CRCLSJGQSA-N
XLogP-0.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
N-[(4S)-4-methoxypyrrolidin-3-yl]prop-2-ynamide
CID 43594076
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
1-(4-methoxypyrrolidin-3-yl)-3-propan-2-ylurea
CID 74884463
2-(3-fluorophenyl)-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide
CID 136575977
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 122561321
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
CID 136575935

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide (CID 130816451) is 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide is CO[C@@H]1CNC[C@@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide?
The InChIKey is HLHIPHTXSVFRPC-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-14-5-3-11-2-4(5)12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide has a molecular weight of 212.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130816451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).