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

C10H18F3NO2 — CID 62735662

IUPAC[(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCOCC(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/t9-/m1/s1
InChIKeyPZGWLBYYKIGHQV-SECBINFHSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds6

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

[(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62735662) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
PubChem CID62735662
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCOCC(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/t9-/m1/s1
InChIKeyPZGWLBYYKIGHQV-SECBINFHSA-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 [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (CID 62735662) is [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CCCOCC(F)(F)F.
What is the InChIKey of [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is PZGWLBYYKIGHQV-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
[(2R)-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 [(2R)-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62735662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).