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

C9H16F3NO2 — CID 62735160

IUPAC[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-5-4-13-3-1-2-8(13)6-14/h8,14H,1-7H2/t8-/m1/s1
InChIKeySGMGPBOGBITCHZ-MRVPVSSYSA-N
MW227.23 g/mol
LogP1.02
Rot. Bonds5

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

[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 62735160) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID62735160
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-5-4-13-3-1-2-8(13)6-14/h8,14H,1-7H2/t8-/m1/s1
InChIKeySGMGPBOGBITCHZ-MRVPVSSYSA-N
XLogP1.02
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 ≤ 51.02
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol (CID 62735160) is [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CCOCC(F)(F)F.
What is the InChIKey of [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is SGMGPBOGBITCHZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-5-4-13-3-1-2-8(13)6-14/h8,14H,1-7H2/t8-/m1/s1.
What are the key properties of [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 227.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62735160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).