ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

C17H28F4N2O — CID 176690988

IUPACethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCC.CC.Cc1nc(C)c(F)c(OC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F4N2O.2C2H6/c1-7-11(14)12(19-8(2)18-7)20-10-5-3-9(4-6-10)13(15,16)17;2*1-2/h9-10H,3-6H2,1-2H3;2*1-2H3
InChIKeyRSNLYVBEJVMZSB-UHFFFAOYSA-N
MW352.42 g/mol
LogP5.78
Rot. Bonds2

About ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (PubChem CID 176690988) has the molecular formula C17H28F4N2O and a molecular weight of 352.42 g/mol. Its IUPAC name is ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.

Molecular Properties

Compound Nameethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
PubChem CID176690988
Molecular FormulaC17H28F4N2O
Molecular Weight352.42 g/mol
Exact Mass352.21
IUPAC Nameethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCC.CC.Cc1nc(C)c(F)c(OC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F4N2O.2C2H6/c1-7-11(14)12(19-8(2)18-7)20-10-5-3-9(4-6-10)13(15,16)17;2*1-2/h9-10H,3-6H2,1-2H3;2*1-2H3
InChIKeyRSNLYVBEJVMZSB-UHFFFAOYSA-N
XLogP5.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The IUPAC name of ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (CID 176690988) is ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.
What is the SMILES notation for ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The canonical SMILES for ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is CC.CC.Cc1nc(C)c(F)c(OC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The InChIKey is RSNLYVBEJVMZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O.2C2H6/c1-7-11(14)12(19-8(2)18-7)20-10-5-3-9(4-6-10)13(15,16)17;2*1-2/h9-10H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine has a molecular weight of 352.42 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is sourced from PubChem (CID 176690988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).