1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C9H10F3N3O — CID 64586057

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-3-13-8(14-7)15-4-2-6(16)5-15/h1,3,6,16H,2,4-5H2
InChIKeyWFXUDSVKJGWODL-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.07
Rot. Bonds1

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 64586057) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID64586057
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-1-3-13-8(14-7)15-4-2-6(16)5-15/h1,3,6,16H,2,4-5H2
InChIKeyWFXUDSVKJGWODL-UHFFFAOYSA-N
XLogP1.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 64586057) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is OC1CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is WFXUDSVKJGWODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-1-3-13-8(14-7)15-4-2-6(16)5-15/h1,3,6,16H,2,4-5H2.
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 233.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 64586057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).