2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine

C12H14F4N2 — CID 141403698

IUPAC2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine
SMILESCC1(c2cnc(C(F)F)nc2)CCC(F)(F)CC1
InChIInChI=1S/C12H14F4N2/c1-11(2-4-12(15,16)5-3-11)8-6-17-10(9(13)14)18-7-8/h6-7,9H,2-5H2,1H3
InChIKeyZEWSWTKLWJIPCA-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.88
Rot. Bonds2

About 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine

2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine (PubChem CID 141403698) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine
PubChem CID141403698
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine
SMILESCC1(c2cnc(C(F)F)nc2)CCC(F)(F)CC1
InChIInChI=1S/C12H14F4N2/c1-11(2-4-12(15,16)5-3-11)8-6-17-10(9(13)14)18-7-8/h6-7,9H,2-5H2,1H3
InChIKeyZEWSWTKLWJIPCA-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine?
The IUPAC name of 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine (CID 141403698) is 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine?
The canonical SMILES for 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine is CC1(c2cnc(C(F)F)nc2)CCC(F)(F)CC1.
What is the InChIKey of 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine?
The InChIKey is ZEWSWTKLWJIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c1-11(2-4-12(15,16)5-3-11)8-6-17-10(9(13)14)18-7-8/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine?
2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine has a molecular weight of 262.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4,4-difluoro-1-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 141403698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).