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

C11H20F3NO2 — CID 102788011

IUPAC[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCOCC(F)(F)F)C1CO
InChIInChI=1S/C11H20F3NO2/c1-9-3-5-15(10(9)7-16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyRZZQGAHFYGFYLH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.66
Rot. Bonds6

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

[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (PubChem CID 102788011) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
PubChem CID102788011
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCOCC(F)(F)F)C1CO
InChIInChI=1S/C11H20F3NO2/c1-9-3-5-15(10(9)7-16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3
InChIKeyRZZQGAHFYGFYLH-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.66
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-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol (CID 102788011) is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is CC1CCN(CCCOCC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is RZZQGAHFYGFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9-3-5-15(10(9)7-16)4-2-6-17-8-11(12,13)14/h9-10,16H,2-8H2,1H3.
What are the key properties of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).