6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one

C8H14F2N2O — CID 170016153

IUPAC6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1CNC(=O)N(C)C1(F)F
InChIInChI=1S/C8H14F2N2O/c1-5(2)6-4-11-7(13)12(3)8(6,9)10/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyLPFJQAKJSCZDQF-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.51
Rot. Bonds1

About 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one

6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one (PubChem CID 170016153) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one
PubChem CID170016153
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)C1CNC(=O)N(C)C1(F)F
InChIInChI=1S/C8H14F2N2O/c1-5(2)6-4-11-7(13)12(3)8(6,9)10/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyLPFJQAKJSCZDQF-UHFFFAOYSA-N
XLogP1.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5,5-Difluoro-1-methyl-1,3-diazinan-2-one
CID 167726778
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
4-Amino-5-(trifluoromethyl)-1,3-diazinan-2-one
CID 57174118
4,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976487
5-Methyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 67976490
5-(Trifluoromethyl)-1,3-diazinan-2-one
CID 84717248
4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 89616505
1-[(1-Methylpiperidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113233560
1-[(2R)-2-methylbutyl]-3-(2,2,2-trifluoroethyl)urea
CID 137434256
N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide
CID 154449962
4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]piperidine-1-carboxamide
CID 167135253

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one (CID 170016153) is 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one is CC(C)C1CNC(=O)N(C)C1(F)F.
What is the InChIKey of 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is LPFJQAKJSCZDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-5(2)6-4-11-7(13)12(3)8(6,9)10/h5-6H,4H2,1-3H3,(H,11,13).
What are the key properties of 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one?
6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 170016153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).