2-[cyclohexyl(difluoro)methoxy]pyrimidine

C11H14F2N2O — CID 57024047

IUPAC2-[cyclohexyl(difluoro)methoxy]pyrimidine
SMILESFC(F)(Oc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H14F2N2O/c12-11(13,9-5-2-1-3-6-9)16-10-14-7-4-8-15-10/h4,7-9H,1-3,5-6H2
InChIKeyBAEPONZTOSWKCB-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.03
Rot. Bonds3

About 2-[cyclohexyl(difluoro)methoxy]pyrimidine

2-[cyclohexyl(difluoro)methoxy]pyrimidine (PubChem CID 57024047) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[cyclohexyl(difluoro)methoxy]pyrimidine.

Molecular Properties

Compound Name2-[cyclohexyl(difluoro)methoxy]pyrimidine
PubChem CID57024047
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[cyclohexyl(difluoro)methoxy]pyrimidine
SMILESFC(F)(Oc1ncccn1)C1CCCCC1
InChIInChI=1S/C11H14F2N2O/c12-11(13,9-5-2-1-3-6-9)16-10-14-7-4-8-15-10/h4,7-9H,1-3,5-6H2
InChIKeyBAEPONZTOSWKCB-UHFFFAOYSA-N
XLogP3.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(difluoro)methoxy]pyrimidine?
The IUPAC name of 2-[cyclohexyl(difluoro)methoxy]pyrimidine (CID 57024047) is 2-[cyclohexyl(difluoro)methoxy]pyrimidine.
What is the SMILES notation for 2-[cyclohexyl(difluoro)methoxy]pyrimidine?
The canonical SMILES for 2-[cyclohexyl(difluoro)methoxy]pyrimidine is FC(F)(Oc1ncccn1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(difluoro)methoxy]pyrimidine?
The InChIKey is BAEPONZTOSWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13,9-5-2-1-3-6-9)16-10-14-7-4-8-15-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-[cyclohexyl(difluoro)methoxy]pyrimidine?
2-[cyclohexyl(difluoro)methoxy]pyrimidine has a molecular weight of 228.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(difluoro)methoxy]pyrimidine is sourced from PubChem (CID 57024047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).