[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H17F3N2O2 — CID 112624940

IUPAC[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCC(CO)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(2-3-15-7-10)9(18)16-4-1-8(5-16)6-17/h8,15,17H,1-7H2
InChIKeyRMIPKEDOZBFNKY-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.37
Rot. Bonds2

About [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 112624940) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID112624940
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(N1CCC(CO)C1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)10(2-3-15-7-10)9(18)16-4-1-8(5-16)6-17/h8,15,17H,1-7H2
InChIKeyRMIPKEDOZBFNKY-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 112624940) is [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(N1CCC(CO)C1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is RMIPKEDOZBFNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)10(2-3-15-7-10)9(18)16-4-1-8(5-16)6-17/h8,15,17H,1-7H2.
What are the key properties of [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
[3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 266.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 112624940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).