1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea

C6H12F2N2O2 — CID 75423374

IUPAC1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-12-3-2-9-6(11)10-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyBOYJJTDCEQRHQD-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.20
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea

1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea (PubChem CID 75423374) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea
PubChem CID75423374
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-12-3-2-9-6(11)10-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyBOYJJTDCEQRHQD-UHFFFAOYSA-N
XLogP0.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea (CID 75423374) is 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea is COCCNC(=O)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea?
The InChIKey is BOYJJTDCEQRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-12-3-2-9-6(11)10-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea?
1-(2,2-difluoroethyl)-3-(2-methoxyethyl)urea has a molecular weight of 182.17 g/mol, XLogP of 0.20, 5 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-(2-methoxyethyl)urea is sourced from PubChem (CID 75423374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).