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

C7H12ClF3N2O2 — CID 87481313

IUPAC2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
SMILESCl.O=C(NC[C@@H]1CNC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13;/h4-5,11,13H,1-3H2,(H,12,14);1H/t4-,5-;/m0./s1
InChIKeyHOFKRKIRAMLADZ-FHAQVOQBSA-N
MW248.63 g/mol
LogP-0.33
Rot. Bonds2

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

2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride (PubChem CID 87481313) has the molecular formula C7H12ClF3N2O2 and a molecular weight of 248.63 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
PubChem CID87481313
Molecular FormulaC7H12ClF3N2O2
Molecular Weight248.63 g/mol
Exact Mass248.05
IUPAC Name2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
SMILESCl.O=C(NC[C@@H]1CNC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13;/h4-5,11,13H,1-3H2,(H,12,14);1H/t4-,5-;/m0./s1
InChIKeyHOFKRKIRAMLADZ-FHAQVOQBSA-N
XLogP-0.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
CID 120944272
3,3,3-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide;hydrochloride
CID 120946312
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 120947292
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 120945294
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
3-cyclobutyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944731
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 120945181
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 120946137
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120945140
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride (CID 87481313) is 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride is Cl.O=C(NC[C@@H]1CNC[C@@H]1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride?
The InChIKey is HOFKRKIRAMLADZ-FHAQVOQBSA-N. The full InChI is InChI=1S/C7H11F3N2O2.ClH/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13;/h4-5,11,13H,1-3H2,(H,12,14);1H/t4-,5-;/m0./s1.
What are the key properties of 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride?
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride has a molecular weight of 248.63 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 87481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).