5,5-difluoro-1-methyl-1,3-diazinan-2-one

C5H8F2N2O — CID 167726778

IUPAC5,5-difluoro-1-methyl-1,3-diazinan-2-one
SMILESCN1CC(F)(F)CNC1=O
InChIInChI=1S/C5H8F2N2O/c1-9-3-5(6,7)2-8-4(9)10/h2-3H2,1H3,(H,8,10)
InChIKeyUOFKAVDOCREBPK-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.28
Rot. Bonds

About 5,5-difluoro-1-methyl-1,3-diazinan-2-one

5,5-difluoro-1-methyl-1,3-diazinan-2-one (PubChem CID 167726778) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 5,5-difluoro-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5,5-difluoro-1-methyl-1,3-diazinan-2-one
PubChem CID167726778
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name5,5-difluoro-1-methyl-1,3-diazinan-2-one
SMILESCN1CC(F)(F)CNC1=O
InChIInChI=1S/C5H8F2N2O/c1-9-3-5(6,7)2-8-4(9)10/h2-3H2,1H3,(H,8,10)
InChIKeyUOFKAVDOCREBPK-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyltetrahydropyrimidin-2(1H)-one
CID 12867748
1-Ethyl-1,3-diazinan-2-one
CID 21479220
1-Methyl-1,3-diazinan-2-one hydrochloride
CID 122163940
Trifluoromethylhexahydropyrimidinone
CID 129868930
4-Amino-6-fluoro-1,3-diazinan-2-one
CID 45033396
1-Propyl-3-(2,2,2-trifluoroethyl)urea
CID 54195899
4-Amino-5-fluoro-1,3-diazinan-2-one
CID 56629715
4-Amino-5-(trifluoromethyl)-1,3-diazinan-2-one
CID 57174118
N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
CID 58171987
4-Fluoro-1,3-diazinan-2-one
CID 73867847
5-(Trifluoromethyl)-1,3-diazinan-2-one
CID 84717248
1-Ethyl-3-methyl-1-(trifluoromethyl)urea
CID 87182101

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-methyl-1,3-diazinan-2-one?
The IUPAC name of 5,5-difluoro-1-methyl-1,3-diazinan-2-one (CID 167726778) is 5,5-difluoro-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 5,5-difluoro-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for 5,5-difluoro-1-methyl-1,3-diazinan-2-one is CN1CC(F)(F)CNC1=O.
What is the InChIKey of 5,5-difluoro-1-methyl-1,3-diazinan-2-one?
The InChIKey is UOFKAVDOCREBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c1-9-3-5(6,7)2-8-4(9)10/h2-3H2,1H3,(H,8,10).
What are the key properties of 5,5-difluoro-1-methyl-1,3-diazinan-2-one?
5,5-difluoro-1-methyl-1,3-diazinan-2-one has a molecular weight of 150.13 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 167726778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).