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

C10H18F3NO2 — CID 62014373

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-2-5-14-4-1-3-9(14)7-15/h9,15H,1-8H2
InChIKeyPZGWLBYYKIGHQV-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds6

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

[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62014373) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
PubChem CID62014373
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-2-5-14-4-1-3-9(14)7-15/h9,15H,1-8H2
InChIKeyPZGWLBYYKIGHQV-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
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-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (CID 62014373) is [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCCOCC(F)(F)F.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is PZGWLBYYKIGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-2-5-14-4-1-3-9(14)7-15/h9,15H,1-8H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 241.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62014373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).