1-(2,2-difluorocyclopropyl)-3-methylurea

C5H8F2N2O — CID 118332583

IUPAC1-(2,2-difluorocyclopropyl)-3-methylurea
SMILESCNC(=O)NC1CC1(F)F
InChIInChI=1S/C5H8F2N2O/c1-8-4(10)9-3-2-5(3,6)7/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyNQTJBJYMDIREOL-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.32
Rot. Bonds1

About 1-(2,2-difluorocyclopropyl)-3-methylurea

1-(2,2-difluorocyclopropyl)-3-methylurea (PubChem CID 118332583) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)-3-methylurea
PubChem CID118332583
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name1-(2,2-difluorocyclopropyl)-3-methylurea
SMILESCNC(=O)NC1CC1(F)F
InChIInChI=1S/C5H8F2N2O/c1-8-4(10)9-3-2-5(3,6)7/h3H,2H2,1H3,(H2,8,9,10)
InChIKeyNQTJBJYMDIREOL-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluorocyclopropyl)-3-methylurea 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-difluorocyclopropyl)-3-methylurea?
The IUPAC name of 1-(2,2-difluorocyclopropyl)-3-methylurea (CID 118332583) is 1-(2,2-difluorocyclopropyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)-3-methylurea?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)-3-methylurea is CNC(=O)NC1CC1(F)F.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)-3-methylurea?
The InChIKey is NQTJBJYMDIREOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c1-8-4(10)9-3-2-5(3,6)7/h3H,2H2,1H3,(H2,8,9,10).
What are the key properties of 1-(2,2-difluorocyclopropyl)-3-methylurea?
1-(2,2-difluorocyclopropyl)-3-methylurea has a molecular weight of 150.13 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)-3-methylurea is sourced from PubChem (CID 118332583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).