[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol

C9H16F3NO2 — CID 62373131

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-3-13-2-1-8(5-13)6-14/h8,14H,1-7H2
InChIKeySGEYWKFEWJJXGB-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.88
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol

[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 62373131) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol
PubChem CID62373131
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-3-13-2-1-8(5-13)6-14/h8,14H,1-7H2
InChIKeySGEYWKFEWJJXGB-UHFFFAOYSA-N
XLogP0.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol (CID 62373131) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol is OCC1CCN(CCOCC(F)(F)F)C1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is SGEYWKFEWJJXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-4-3-13-2-1-8(5-13)6-14/h8,14H,1-7H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62373131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).