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

C8H14F3NO2 — CID 71650196

IUPAC2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
SMILESOCCOCC1CCCN1C(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
InChIKeyCDLHSZSNDSWOGJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.98
Rot. Bonds4

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

2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol (PubChem CID 71650196) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
PubChem CID71650196
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol
SMILESOCCOCC1CCCN1C(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
InChIKeyCDLHSZSNDSWOGJ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The IUPAC name of 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol (CID 71650196) is 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The canonical SMILES for 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol is OCCOCC1CCCN1C(F)(F)F.
What is the InChIKey of 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
The InChIKey is CDLHSZSNDSWOGJ-UHFFFAOYSA-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.
What are the key properties of 2-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol?
2-[[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-[[1-(trifluoromethyl)pyrrolidin-2-yl]methoxy]ethanol is sourced from PubChem (CID 71650196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).