3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride

C9H16ClF3N2O2 — CID 120946312

IUPAC3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CNCC1O)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O2.ClH/c1-5(9(10,11)12)8(16)14-3-6-2-13-4-7(6)15;/h5-7,13,15H,2-4H2,1H3,(H,14,16);1H
InChIKeyXZTJBNLQSWPETL-UHFFFAOYSA-N
MW276.69 g/mol
LogP0.30
Rot. Bonds3

About 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride

3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride (PubChem CID 120946312) has the molecular formula C9H16ClF3N2O2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
PubChem CID120946312
Molecular FormulaC9H16ClF3N2O2
Molecular Weight276.69 g/mol
Exact Mass276.09
IUPAC Name3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C(=O)NCC1CNCC1O)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O2.ClH/c1-5(9(10,11)12)8(16)14-3-6-2-13-4-7(6)15;/h5-7,13,15H,2-4H2,1H3,(H,14,16);1H
InChIKeyXZTJBNLQSWPETL-UHFFFAOYSA-N
XLogP0.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120943537
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 120947569
4-fluoro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120943433
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
CID 120944272
N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 120944419
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(phenylcarbamoylamino)propanamide
CID 120945132
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride (CID 120946312) is 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride is CC(C(=O)NCC1CNCC1O)C(F)(F)F.Cl.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
The InChIKey is XZTJBNLQSWPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2.ClH/c1-5(9(10,11)12)8(16)14-3-6-2-13-4-7(6)15;/h5-7,13,15H,2-4H2,1H3,(H,14,16);1H.
What are the key properties of 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride?
3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride has a molecular weight of 276.69 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120946312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).