1-(2,2-difluoroethyl)-3-ethoxyurea

C5H10F2N2O2 — CID 131200724

IUPAC1-(2,2-difluoroethyl)-3-ethoxyurea
SMILESCCONC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O2/c1-2-11-9-5(10)8-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyJBGUTZXINDQSME-UHFFFAOYSA-N
MW168.14 g/mol
LogP0.50
Rot. Bonds4

About 1-(2,2-difluoroethyl)-3-ethoxyurea

1-(2,2-difluoroethyl)-3-ethoxyurea (PubChem CID 131200724) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethoxyurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethoxyurea
PubChem CID131200724
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name1-(2,2-difluoroethyl)-3-ethoxyurea
SMILESCCONC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O2/c1-2-11-9-5(10)8-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyJBGUTZXINDQSME-UHFFFAOYSA-N
XLogP0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethoxyurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethoxyurea (CID 131200724) is 1-(2,2-difluoroethyl)-3-ethoxyurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethoxyurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethoxyurea is CCONC(=O)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethoxyurea?
The InChIKey is JBGUTZXINDQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c1-2-11-9-5(10)8-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 1-(2,2-difluoroethyl)-3-ethoxyurea?
1-(2,2-difluoroethyl)-3-ethoxyurea has a molecular weight of 168.14 g/mol, XLogP of 0.50, 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)-3-ethoxyurea is sourced from PubChem (CID 131200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).