2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C10H17F3N2O2 — CID 112625231

IUPAC2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(16)7-3-4-15(5-7)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3
InChIKeyROBOXWWOULZNNT-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.50
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 112625231) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID112625231
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(O)C1CCN(C(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(16)7-3-4-15(5-7)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3
InChIKeyROBOXWWOULZNNT-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386169
2-Amino-3,3,3-trifluoro-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79797514
2-Amino-3,3,3-trifluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 79811358
2-amino-3,3,3-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylpropanamide
CID 79811933
2-Amino-3,3,3-trifluoro-1-(3-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 79812005
2-Amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812260
(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237723
(2R)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237724
(2R)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 98852086
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 100084558
2-Amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 102957180
2-amino-3,3,3-trifluoro-N-(4-hydroxypentyl)-2-methylpropanamide
CID 106134707

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 112625231) is 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(O)C1CCN(C(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ROBOXWWOULZNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(16)7-3-4-15(5-7)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 112625231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).