1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one

C10H18F2N2O — CID 176833352

IUPAC1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CNC(C(F)F)NC1
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-13-9(8(11)12)14-5-6/h6,8-9,13-14H,4-5H2,1-3H3
InChIKeyPHOPVBMZSBBXEI-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.00
Rot. Bonds2

About 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one

1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833352) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one
PubChem CID176833352
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CNC(C(F)F)NC1
InChIInChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-13-9(8(11)12)14-5-6/h6,8-9,13-14H,4-5H2,1-3H3
InChIKeyPHOPVBMZSBBXEI-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-1-[4-(trifluoromethyl)-1,3-diazinan-2-yl]propan-1-one
CID 176832739
2,2-Dimethyl-1-[5-(trifluoromethyl)-1,3-diazinan-2-yl]propan-1-one
CID 176832756
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-5-yl]propan-1-one
CID 176833354
2,2-Dimethyl-1-[2-(trifluoromethyl)-1,3-diazinan-4-yl]propan-1-one
CID 176833662
1-[5-(Difluoromethyl)-4-methyl-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
CID 176834000
2,2-Dimethyl-1-[4-methyl-2-(trifluoromethyl)-1,3-diazinan-5-yl]propan-1-one
CID 176834109
1-[2-(Difluoromethyl)-1,3-diazinan-4-yl]-2,2-dimethylpropan-1-one
CID 176834251
1-[4-(Difluoromethyl)-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
CID 176834314
1-[5-(Difluoromethyl)-1,3-diazinan-2-yl]-2,2-dimethylpropan-1-one
CID 176834436
1-(1,3-Diazinan-5-yl)-2,2-dimethylpropan-1-one
CID 176833953
3,3-dimethyl-1-[(2R,4S)-4-methyl-1,3-diazinan-2-yl]butan-2-one
CID 130878385

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one (CID 176833352) is 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CNC(C(F)F)NC1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PHOPVBMZSBBXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-10(2,3)7(15)6-4-13-9(8(11)12)14-5-6/h6,8-9,13-14H,4-5H2,1-3H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one?
1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-diazinan-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).