N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide

C14H17F3N2O — CID 124514796

IUPACN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(20)18-8-12-6-7-19(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,20)/t12-/m1/s1
InChIKeyPMCSAQOKAMMHLC-GFCCVEGCSA-N
MW286.30 g/mol
LogP2.19
Rot. Bonds4

About N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 124514796) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID124514796
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(20)18-8-12-6-7-19(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,20)/t12-/m1/s1
InChIKeyPMCSAQOKAMMHLC-GFCCVEGCSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
N-[(1-benzylpyrrolidin-3-yl)methyl]-3-ethylsulfanylpropanamide
CID 118788894
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide (CID 124514796) is N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide is O=C(NC[C@H]1CCN(Cc2ccccc2)C1)C(F)(F)F.
What is the InChIKey of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is PMCSAQOKAMMHLC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)13(20)18-8-12-6-7-19(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 286.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 124514796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).