5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

C10H17F3N2O — CID 67976490

IUPAC5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESCC(C)C1NC(=O)N(CC(F)(F)F)CC1C
InChIInChI=1S/C10H17F3N2O/c1-6(2)8-7(3)4-15(9(16)14-8)5-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyURBXQYUTIHXVJA-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.23
Rot. Bonds2

About 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one

5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (PubChem CID 67976490) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
PubChem CID67976490
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
SMILESCC(C)C1NC(=O)N(CC(F)(F)F)CC1C
InChIInChI=1S/C10H17F3N2O/c1-6(2)8-7(3)4-15(9(16)14-8)5-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyURBXQYUTIHXVJA-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 11616479
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692
4-amino-N-tert-butylpiperidine-1-carboxamide
CID 28785595
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
1,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115169305
N-butyl-3,5-dimethyl-1-piperidinecarboxamide
CID 2926433

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The IUPAC name of 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one (CID 67976490) is 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The canonical SMILES for 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is CC(C)C1NC(=O)N(CC(F)(F)F)CC1C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
The InChIKey is URBXQYUTIHXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(2)8-7(3)4-15(9(16)14-8)5-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one?
5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one has a molecular weight of 238.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 67976490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).