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

C12H22F3NO2 — CID 62468339

IUPAC3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-9-3-7-16-6-1-4-11(16)5-2-8-17/h11,17H,1-10H2
InChIKeyBQMCWXGCCHQVGU-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.19
Rot. Bonds8

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

3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468339) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62468339
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-9-3-7-16-6-1-4-11(16)5-2-8-17/h11,17H,1-10H2
InChIKeyBQMCWXGCCHQVGU-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.19
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 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol (CID 62468339) is 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCOCC(F)(F)F.
What is the InChIKey of 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is BQMCWXGCCHQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)10-18-9-3-7-16-6-1-4-11(16)5-2-8-17/h11,17H,1-10H2.
What are the key properties of 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).