5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol

C13H24F3NO2 — CID 138660229

IUPAC5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)N1CC(O)C(C(F)(F)F)C1COC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-8(2)17-6-10(18)11(13(14,15)16)9(17)7-19-12(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeySNSXJGDXTJPURE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.43
Rot. Bonds3

About 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol

5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 138660229) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID138660229
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)N1CC(O)C(C(F)(F)F)C1COC(C)(C)C
InChIInChI=1S/C13H24F3NO2/c1-8(2)17-6-10(18)11(13(14,15)16)9(17)7-19-12(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeySNSXJGDXTJPURE-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol (CID 138660229) is 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol is CC(C)N1CC(O)C(C(F)(F)F)C1COC(C)(C)C.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is SNSXJGDXTJPURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-8(2)17-6-10(18)11(13(14,15)16)9(17)7-19-12(3,4)5/h8-11,18H,6-7H2,1-5H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol?
5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 283.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxymethyl]-1-propan-2-yl-4-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 138660229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).