2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C7H12ClF3N2O — CID 87470013

IUPAC2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-4-5-2-1-3-11-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyNIQDADUHKSXPPX-UHFFFAOYSA-N
MW232.63 g/mol
LogP0.84
Rot. Bonds2

About 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 87470013) has the molecular formula C7H12ClF3N2O and a molecular weight of 232.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID87470013
Molecular FormulaC7H12ClF3N2O
Molecular Weight232.63 g/mol
Exact Mass232.06
IUPAC Name2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-4-5-2-1-3-11-5;/h5,11H,1-4H2,(H,12,13);1H
InChIKeyNIQDADUHKSXPPX-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
2,2,2-trifluoro-N-(piperazin-2-ylmethyl)acetamide
CID 14839584
2-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511132
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
2,2-dimethyl-N-[2-oxo-2-(pyrrolidin-2-ylmethylamino)ethyl]propanamide
CID 119512467
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81478379
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 87470013) is 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(NCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is NIQDADUHKSXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)6(13)12-4-5-2-1-3-11-5;/h5,11H,1-4H2,(H,12,13);1H.
What are the key properties of 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 232.63 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 87470013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).