1-(2,2-difluoroethyl)-1,3-dimethylurea

C5H10F2N2O — CID 115612114

IUPAC1-(2,2-difluoroethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CC(F)F
InChIInChI=1S/C5H10F2N2O/c1-8-5(10)9(2)3-4(6)7/h4H,3H2,1-2H3,(H,8,10)
InChIKeyVVGJXJPGGRRBBF-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.52
Rot. Bonds2

About 1-(2,2-difluoroethyl)-1,3-dimethylurea

1-(2,2-difluoroethyl)-1,3-dimethylurea (PubChem CID 115612114) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1,3-dimethylurea
PubChem CID115612114
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name1-(2,2-difluoroethyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)CC(F)F
InChIInChI=1S/C5H10F2N2O/c1-8-5(10)9(2)3-4(6)7/h4H,3H2,1-2H3,(H,8,10)
InChIKeyVVGJXJPGGRRBBF-UHFFFAOYSA-N
XLogP0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1,3-dimethylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-1,3-dimethylurea (CID 115612114) is 1-(2,2-difluoroethyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1,3-dimethylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1,3-dimethylurea is CNC(=O)N(C)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-1,3-dimethylurea?
The InChIKey is VVGJXJPGGRRBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-8-5(10)9(2)3-4(6)7/h4H,3H2,1-2H3,(H,8,10).
What are the key properties of 1-(2,2-difluoroethyl)-1,3-dimethylurea?
1-(2,2-difluoroethyl)-1,3-dimethylurea has a molecular weight of 152.14 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1,3-dimethylurea is sourced from PubChem (CID 115612114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).