(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C15H18F4N2O — CID 99820138

IUPAC(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F
InChIInChI=1S/C15H18F4N2O/c1-2-12(10-5-3-4-6-11(10)16)20-13-7-8-21(14(13)22)9-15(17,18)19/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyCPZSNSDNYQBBFN-QWHCGFSZSA-N
MW318.31 g/mol
LogP3.03
Rot. Bonds5

About (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 99820138) has the molecular formula C15H18F4N2O and a molecular weight of 318.31 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID99820138
Molecular FormulaC15H18F4N2O
Molecular Weight318.31 g/mol
Exact Mass318.14
IUPAC Name(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F
InChIInChI=1S/C15H18F4N2O/c1-2-12(10-5-3-4-6-11(10)16)20-13-7-8-21(14(13)22)9-15(17,18)19/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13+/m0/s1
InChIKeyCPZSNSDNYQBBFN-QWHCGFSZSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-ethyl-N-[(1R)-1-(2-fluorophenyl)propyl]piperidin-4-amine
CID 99717003
2-fluoro-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133311142
3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975576
3-amino-2-methyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-phenylpropanamide
CID 119784807
N-[1-(2-fluorophenyl)propyl]-2-methyloxolan-3-amine
CID 112639555
N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
CID 96549749
2-[2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 119185101
[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-triphenylphosphanium
CID 87795390
(3S)-3-[[(2R,3R)-3-methyl-4-(2-nitrophenyl)butan-2-yl]amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 124861798
N-[1-(2-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115994378
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 99820138) is (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F.
What is the InChIKey of (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is CPZSNSDNYQBBFN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18F4N2O/c1-2-12(10-5-3-4-6-11(10)16)20-13-7-8-21(14(13)22)9-15(17,18)19/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 318.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1-(2-fluorophenyl)propyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 99820138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).