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

C10H12F3N3O — CID 63373262

IUPAC[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(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
InChIKeyITYRCCYQILPCHO-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds2

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

[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 63373262) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID63373262
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nccc(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
InChIKeyITYRCCYQILPCHO-UHFFFAOYSA-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 [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 63373262) is [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is ITYRCCYQILPCHO-UHFFFAOYSA-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.
What are the key properties of [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[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 [1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63373262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).