1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol

C11H13F3N2O — CID 64756517

IUPAC1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cncnc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-1-3-10(17,4-2-8)9-5-15-7-16-6-9/h5-8,17H,1-4H2
InChIKeyLWQZYEUTZJMRIJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.42
Rot. Bonds1

About 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol

1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756517) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756517
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cncnc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-1-3-10(17,4-2-8)9-5-15-7-16-6-9/h5-8,17H,1-4H2
InChIKeyLWQZYEUTZJMRIJ-UHFFFAOYSA-N
XLogP2.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756517) is 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cncnc2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LWQZYEUTZJMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-3-10(17,4-2-8)9-5-15-7-16-6-9/h5-8,17H,1-4H2.
What are the key properties of 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol?
1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).