3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea

C9H16F2N2O2 — CID 107479084

IUPAC3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O2/c10-8(11)6-13(4-5-14)9(15)12-7-2-1-3-7/h7-8,14H,1-6H2,(H,12,15)
InChIKeyQFGAYSPEXVJMDK-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.81
Rot. Bonds5

About 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea

3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea (PubChem CID 107479084) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
PubChem CID107479084
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O2/c10-8(11)6-13(4-5-14)9(15)12-7-2-1-3-7/h7-8,14H,1-6H2,(H,12,15)
InChIKeyQFGAYSPEXVJMDK-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea (CID 107479084) is 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea is O=C(NC1CCC1)N(CCO)CC(F)F.
What is the InChIKey of 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
The InChIKey is QFGAYSPEXVJMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)6-13(4-5-14)9(15)12-7-2-1-3-7/h7-8,14H,1-6H2,(H,12,15).
What are the key properties of 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea?
3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea has a molecular weight of 222.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 107479084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).