(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol

C13H22F3NO3 — CID 99105595

IUPAC(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol
SMILESO[C@H]([C@H]1CCCN1CCOC[C@@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)12(18)11-4-1-5-17(11)6-8-19-9-10-3-2-7-20-10/h10-12,18H,1-9H2/t10-,11+,12+/m0/s1
InChIKeyAEMRESOZUGYQLY-QJPTWQEYSA-N
MW297.32 g/mol
LogP1.57
Rot. Bonds6

About (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol

(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol (PubChem CID 99105595) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol
PubChem CID99105595
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol
SMILESO[C@H]([C@H]1CCCN1CCOC[C@@H]1CCCO1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)12(18)11-4-1-5-17(11)6-8-19-9-10-3-2-7-20-10/h10-12,18H,1-9H2/t10-,11+,12+/m0/s1
InChIKeyAEMRESOZUGYQLY-QJPTWQEYSA-N
XLogP1.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

10,13-bis[2-(oxolan-2-ylmethoxy)ethyl]-1,4,7-trioxa-10,13-diazacyclopentadecane
CID 14910693
1-(oxolan-2-ylmethoxy)-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 111424785
1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]ethoxy]propan-2-ol
CID 54459416
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
(2R)-3-methyl-2-[4-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazin-1-yl]butanenitrile
CID 97216352
2-[(2S)-1-[2-[[(2S)-oxan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785701
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
4-[2-(oxolan-2-ylmethoxy)ethoxy]benzoic acid
CID 43532303
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119434650
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111778932

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol (CID 99105595) is (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol is O[C@H]([C@H]1CCCN1CCOC[C@@H]1CCCO1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol?
The InChIKey is AEMRESOZUGYQLY-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c14-13(15,16)12(18)11-4-1-5-17(11)6-8-19-9-10-3-2-7-20-10/h10-12,18H,1-9H2/t10-,11+,12+/m0/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol?
(1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol has a molecular weight of 297.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[(2R)-1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 99105595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).