ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane

C15H24F4N2O — CID 176690760

IUPACethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
SMILESCC.Cc1nc(C)c(F)c(=O)[nH]1.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.C6H7FN2O.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-3-5(7)6(10)9-4(2)8-3;1-2/h6H,1-5H2;1-2H3,(H,8,9,10);1-2H3
InChIKeyVXHPZEGHUQOVJA-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.68
Rot. Bonds

About ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane

ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane (PubChem CID 176690760) has the molecular formula C15H24F4N2O and a molecular weight of 324.36 g/mol. Its IUPAC name is ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane.

Molecular Properties

Compound Nameethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
PubChem CID176690760
Molecular FormulaC15H24F4N2O
Molecular Weight324.36 g/mol
Exact Mass324.18
IUPAC Nameethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
SMILESCC.Cc1nc(C)c(F)c(=O)[nH]1.FC(F)(F)C1CCCCC1
InChIInChI=1S/C7H11F3.C6H7FN2O.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-3-5(7)6(10)9-4(2)8-3;1-2/h6H,1-5H2;1-2H3,(H,8,9,10);1-2H3
InChIKeyVXHPZEGHUQOVJA-UHFFFAOYSA-N
XLogP4.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-trimethylstannyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
CID 176690941
4-chloro-5-fluoro-2-methyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane
CID 176690980
5-fluoro-4-methyl-2-(4-propylcyclohexyl)-1H-pyrimidin-6-one
CID 136228776
2-cyclohexyl-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228851
5-fluoro-4-methyl-2-(3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 136228865
5-fluoro-4-methyl-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 136228866
2-(4-ethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136238439
2-(3-ethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136238458
2-(3,3-difluorocyclohexyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 137010977
2-(3,3-difluorocyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 137010982
2-[(1S)-3,3-difluorocyclohexyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 177193192

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The IUPAC name of ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane (CID 176690760) is ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane.
What is the SMILES notation for ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The canonical SMILES for ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane is CC.Cc1nc(C)c(F)c(=O)[nH]1.FC(F)(F)C1CCCCC1.
What is the InChIKey of ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
The InChIKey is VXHPZEGHUQOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3.C6H7FN2O.C2H6/c8-7(9,10)6-4-2-1-3-5-6;1-3-5(7)6(10)9-4(2)8-3;1-2/h6H,1-5H2;1-2H3,(H,8,9,10);1-2H3.
What are the key properties of ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane?
ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane has a molecular weight of 324.36 g/mol, XLogP of 4.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one;trifluoromethylcyclohexane is sourced from PubChem (CID 176690760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).