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

C6H12F2N2O2 — CID 107479081

IUPAC1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)CC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-9-6(12)10(2-3-11)4-5(7)8/h5,11H,2-4H2,1H3,(H,9,12)
InChIKeyIWTQLFFIAYBPNA-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.11
Rot. Bonds4

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

1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea (PubChem CID 107479081) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea
PubChem CID107479081
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea
SMILESCNC(=O)N(CCO)CC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-9-6(12)10(2-3-11)4-5(7)8/h5,11H,2-4H2,1H3,(H,9,12)
InChIKeyIWTQLFFIAYBPNA-UHFFFAOYSA-N
XLogP-0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea (CID 107479081) is 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea is CNC(=O)N(CCO)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea?
The InChIKey is IWTQLFFIAYBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-9-6(12)10(2-3-11)4-5(7)8/h5,11H,2-4H2,1H3,(H,9,12).
What are the key properties of 1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea?
1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3-methylurea has a molecular weight of 182.17 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 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-methylurea is sourced from PubChem (CID 107479081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).