(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol

C13H18F3NO3 — CID 129381653

IUPAC(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCOCc1ccc([C@@H]2CCCN2C[C@H](O)C(F)(F)F)o1
InChIInChI=1S/C13H18F3NO3/c1-19-8-9-4-5-11(20-9)10-3-2-6-17(10)7-12(18)13(14,15)16/h4-5,10,12,18H,2-3,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyMZKVOOQTYNXVIR-JQWIXIFHSA-N
MW293.29 g/mol
LogP2.49
Rot. Bonds5

About (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 129381653) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
PubChem CID129381653
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCOCc1ccc([C@@H]2CCCN2C[C@H](O)C(F)(F)F)o1
InChIInChI=1S/C13H18F3NO3/c1-19-8-9-4-5-11(20-9)10-3-2-6-17(10)7-12(18)13(14,15)16/h4-5,10,12,18H,2-3,6-8H2,1H3/t10-,12-/m0/s1
InChIKeyMZKVOOQTYNXVIR-JQWIXIFHSA-N
XLogP2.49
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-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 (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol (CID 129381653) is (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol is COCc1ccc([C@@H]2CCCN2C[C@H](O)C(F)(F)F)o1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is MZKVOOQTYNXVIR-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-19-8-9-4-5-11(20-9)10-3-2-6-17(10)7-12(18)13(14,15)16/h4-5,10,12,18H,2-3,6-8H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 293.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 129381653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).