6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol

C10H13F3N2O — CID 116535880

IUPAC6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cncnc1
InChIInChI=1S/C10H13F3N2O/c1-9(16,3-2-4-10(11,12)13)8-5-14-7-15-6-8/h5-7,16H,2-4H2,1H3
InChIKeyZABHLXHAXUDKMV-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.42
Rot. Bonds4

About 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol

6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol (PubChem CID 116535880) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol
PubChem CID116535880
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1cncnc1
InChIInChI=1S/C10H13F3N2O/c1-9(16,3-2-4-10(11,12)13)8-5-14-7-15-6-8/h5-7,16H,2-4H2,1H3
InChIKeyZABHLXHAXUDKMV-UHFFFAOYSA-N
XLogP2.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol (CID 116535880) is 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol is CC(O)(CCCC(F)(F)F)c1cncnc1.
What is the InChIKey of 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol?
The InChIKey is ZABHLXHAXUDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-9(16,3-2-4-10(11,12)13)8-5-14-7-15-6-8/h5-7,16H,2-4H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol?
6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-pyrimidin-5-ylhexan-2-ol is sourced from PubChem (CID 116535880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).