1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C15H13F4N3O2 — CID 175935651

IUPAC1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H13F4N3O2/c16-9-2-1-3-11(6-9)24-13-7-12(15(17,18)19)20-14(21-13)22-5-4-10(23)8-22/h1-3,6-7,10,23H,4-5,8H2
InChIKeyNEKVLDOBCIMRTC-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.00
Rot. Bonds3

About 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 175935651) has the molecular formula C15H13F4N3O2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID175935651
Molecular FormulaC15H13F4N3O2
Molecular Weight343.28 g/mol
Exact Mass343.09
IUPAC Name1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H13F4N3O2/c16-9-2-1-3-11(6-9)24-13-7-12(15(17,18)19)20-14(21-13)22-5-4-10(23)8-22/h1-3,6-7,10,23H,4-5,8H2
InChIKeyNEKVLDOBCIMRTC-UHFFFAOYSA-N
XLogP3.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 175935651) is 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is OC1CCN(c2nc(Oc3cccc(F)c3)cc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is NEKVLDOBCIMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N3O2/c16-9-2-1-3-11(6-9)24-13-7-12(15(17,18)19)20-14(21-13)22-5-4-10(23)8-22/h1-3,6-7,10,23H,4-5,8H2.
What are the key properties of 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 343.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 175935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).