[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

C10H12F3N3O — CID 47084461

IUPAC[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(15-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1
InChIKeyITYRCCYQILPCHO-SSDOTTSWSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds2

About [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 47084461) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID47084461
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(15-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1
InChIKeyITYRCCYQILPCHO-SSDOTTSWSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 47084461) is [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ITYRCCYQILPCHO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(15-8)16-5-1-2-7(16)6-17/h3-4,7,17H,1-2,5-6H2/t7-/m1/s1.
What are the key properties of [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 47084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).