2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide

C9H15F3N2O2 — CID 87799914

IUPAC2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
SMILESO=C(NC[C@@H](O)CN1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)13-5-7(15)6-14-3-1-2-4-14/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyCTTFPIQGCFSFRF-SSDOTTSWSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide

2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide (PubChem CID 87799914) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
PubChem CID87799914
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
SMILESO=C(NC[C@@H](O)CN1CCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)13-5-7(15)6-14-3-1-2-4-14/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1
InChIKeyCTTFPIQGCFSFRF-SSDOTTSWSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
N,N'-(2-hydroxy-1,3-propanediyl)bis(2,2,3,3,3-pentafluoropropanamide)
CID 2851781
2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
CID 10524722
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 23170382
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2,2,2-trifluoro-N-[3-[(2-fluoroacetyl)amino]-2-hydroxypropyl]acetamide
CID 88033057
N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride
CID 88952880
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoro-N-methylacetamide
CID 118525694

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide (CID 87799914) is 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide is O=C(NC[C@@H](O)CN1CCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide?
The InChIKey is CTTFPIQGCFSFRF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)8(16)13-5-7(15)6-14-3-1-2-4-14/h7,15H,1-6H2,(H,13,16)/t7-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide?
2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.12, 4 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-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide is sourced from PubChem (CID 87799914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).