(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol

C18H25F3N2O — CID 67693709

IUPAC(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CN1C2CCCC2CC1C(F)(F)F
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-10-13-7-4-8-15(13)23(17)11-16(24)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13-17,24H,4,7-11,22H2/t13?,14-,15?,16+,17?/m0/s1
InChIKeyPODNAXDXGBBPCD-ZISAHBJPSA-N
MW342.41 g/mol
LogP2.72
Rot. Bonds5

About (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol

(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol (PubChem CID 67693709) has the molecular formula C18H25F3N2O and a molecular weight of 342.41 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol
PubChem CID67693709
Molecular FormulaC18H25F3N2O
Molecular Weight342.41 g/mol
Exact Mass342.19
IUPAC Name(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)CN1C2CCCC2CC1C(F)(F)F
InChIInChI=1S/C18H25F3N2O/c19-18(20,21)17-10-13-7-4-8-15(13)23(17)11-16(24)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13-17,24H,4,7-11,22H2/t13?,14-,15?,16+,17?/m0/s1
InChIKeyPODNAXDXGBBPCD-ZISAHBJPSA-N
XLogP2.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol?
The IUPAC name of (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol (CID 67693709) is (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)CN1C2CCCC2CC1C(F)(F)F.
What is the InChIKey of (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol?
The InChIKey is PODNAXDXGBBPCD-ZISAHBJPSA-N. The full InChI is InChI=1S/C18H25F3N2O/c19-18(20,21)17-10-13-7-4-8-15(13)23(17)11-16(24)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13-17,24H,4,7-11,22H2/t13?,14-,15?,16+,17?/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol?
(2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol has a molecular weight of 342.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-phenyl-1-[2-(trifluoromethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]butan-2-ol is sourced from PubChem (CID 67693709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).