5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol

C7H12F3NO2 — CID 138468286

IUPAC5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCOCC1NCC(O)C1C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-3-4-6(7(8,9)10)5(12)2-11-4/h4-6,11-12H,2-3H2,1H3
InChIKeyYWPBYKDWIZUYJX-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.14
Rot. Bonds2

About 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol

5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 138468286) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID138468286
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESCOCC1NCC(O)C1C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-3-4-6(7(8,9)10)5(12)2-11-4/h4-6,11-12H,2-3H2,1H3
InChIKeyYWPBYKDWIZUYJX-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol (CID 138468286) is 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol is COCC1NCC(O)C1C(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is YWPBYKDWIZUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-13-3-4-6(7(8,9)10)5(12)2-11-4/h4-6,11-12H,2-3H2,1H3.
What are the key properties of 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol?
5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 199.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 138468286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).