N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide

C7H11F3N2O3 — CID 87524500

IUPACN-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1NCC(O)C1O
InChIInChI=1S/C7H11F3N2O3/c1-12(6(15)7(8,9)10)5-4(14)3(13)2-11-5/h3-5,11,13-14H,2H2,1H3
InChIKeyRKYXSCGVHLJORL-UHFFFAOYSA-N
MW228.17 g/mol
LogP-1.34
Rot. Bonds1

About N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide

N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 87524500) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID87524500
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC NameN-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1NCC(O)C1O
InChIInChI=1S/C7H11F3N2O3/c1-12(6(15)7(8,9)10)5-4(14)3(13)2-11-5/h3-5,11,13-14H,2H2,1H3
InChIKeyRKYXSCGVHLJORL-UHFFFAOYSA-N
XLogP-1.34
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536269
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-carboxamide
CID 122536272
(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646810
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103646814
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103731763
(3S,4R)-3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 103739416
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 104410864
3,4-dihydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 106668553
N-ethyl-3-hydroxypyrrolidine-1-carboxamide
CID 62917461
N-(3,4-dihydroxypyrrolidin-2-yl)-N-methylacetamide
CID 67372430
N-(3-hydroxypyrrolidin-2-yl)-N-methylacetamide
CID 69140569
(3S)-N-ethyl-3-hydroxypyrrolidine-1-carboxamide
CID 64457879

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide (CID 87524500) is N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1NCC(O)C1O.
What is the InChIKey of N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is RKYXSCGVHLJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-12(6(15)7(8,9)10)5-4(14)3(13)2-11-5/h3-5,11,13-14H,2H2,1H3.
What are the key properties of N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 228.17 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxypyrrolidin-2-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 87524500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).