(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol

C11H14F2N2O — CID 105083729

IUPAC(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)10(16)9-5-14-7-15-6-9/h5-8,10,16H,1-4H2
InChIKeyIFHJYTKTJFMOPZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.34
Rot. Bonds2

About (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol

(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol (PubChem CID 105083729) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol
PubChem CID105083729
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)C1CCC(F)(F)CC1
InChIInChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)10(16)9-5-14-7-15-6-9/h5-8,10,16H,1-4H2
InChIKeyIFHJYTKTJFMOPZ-UHFFFAOYSA-N
XLogP2.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol (CID 105083729) is (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol?
The InChIKey is IFHJYTKTJFMOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)3-1-8(2-4-11)10(16)9-5-14-7-15-6-9/h5-8,10,16H,1-4H2.
What are the key properties of (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol?
(4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol has a molecular weight of 228.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 105083729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).