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

C9H18F2N2O2 — CID 107479077

IUPAC1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-3-12(4-2)9(15)13(5-6-14)7-8(10)11/h8,14H,3-7H2,1-2H3
InChIKeyUJVWIPUFQHMXDC-UHFFFAOYSA-N
MW224.25 g/mol
LogP1.01
Rot. Bonds6

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

1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea (PubChem CID 107479077) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea
PubChem CID107479077
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H18F2N2O2/c1-3-12(4-2)9(15)13(5-6-14)7-8(10)11/h8,14H,3-7H2,1-2H3
InChIKeyUJVWIPUFQHMXDC-UHFFFAOYSA-N
XLogP1.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea (CID 107479077) is 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea is CCN(CC)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea?
The InChIKey is UJVWIPUFQHMXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-3-12(4-2)9(15)13(5-6-14)7-8(10)11/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea?
1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea has a molecular weight of 224.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,3-diethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 107479077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).