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

C7H14F2N2O2 — CID 107479074

IUPAC1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-10(2)7(13)11(3-4-12)5-6(8)9/h6,12H,3-5H2,1-2H3
InChIKeyZXSGPWTXKSRKPZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.23
Rot. Bonds4

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

1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea (PubChem CID 107479074) has the molecular formula C7H14F2N2O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
PubChem CID107479074
Molecular FormulaC7H14F2N2O2
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
SMILESCN(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-10(2)7(13)11(3-4-12)5-6(8)9/h6,12H,3-5H2,1-2H3
InChIKeyZXSGPWTXKSRKPZ-UHFFFAOYSA-N
XLogP0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea (CID 107479074) is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea is CN(C)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
The InChIKey is ZXSGPWTXKSRKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2/c1-10(2)7(13)11(3-4-12)5-6(8)9/h6,12H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea?
1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea has a molecular weight of 196.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,3-dimethylurea is sourced from PubChem (CID 107479074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).