2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol

C8H14F3NO2 — CID 97169869

IUPAC2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
SMILESOCCOC[C@@H]1CCCN1C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(12)6-14-5-4-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyCDLHSZSNDSWOGJ-ZETCQYMHSA-N
MW213.20 g/mol
LogP0.98
Rot. Bonds4

About 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol

2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol (PubChem CID 97169869) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
PubChem CID97169869
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
SMILESOCCOC[C@@H]1CCCN1C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(12)6-14-5-4-13/h7,13H,1-6H2/t7-/m0/s1
InChIKeyCDLHSZSNDSWOGJ-ZETCQYMHSA-N
XLogP0.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]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

2-Pyrrolidinemethanol,4,4-difluoro-1-(3-oxetanyl)-,(2S)-
CID 67126498
[4,4-Difluoro-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol
CID 67126499
[(2S)-1-(2,2-difluorooxetan-3-yl)pyrrolidin-2-yl]methanol
CID 67193160
4-Fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
CID 126542183
[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
CID 62014373
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62014567
[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62735160
[(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
CID 62735662
[1-[2-(Trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 65805699
[(2S)-1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]methanol
CID 66261739
2-((1-(Trifluoromethyl)pyrrolidin-2-yl)methoxy)acetic acid
CID 71649749
2-((1-(Trifluoromethyl)pyrrolidin-2-yl)methoxy)ethanol
CID 71650196

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The IUPAC name of 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol (CID 97169869) is 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The canonical SMILES for 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol is OCCOC[C@@H]1CCCN1C(F)(F)F.
What is the InChIKey of 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The InChIKey is CDLHSZSNDSWOGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)12-3-1-2-7(12)6-14-5-4-13/h7,13H,1-6H2/t7-/m0/s1.
What are the key properties of 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol has a molecular weight of 213.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol is sourced from PubChem (CID 97169869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).