1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea

C7H14F2N2O2 — CID 103082295

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCOCC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-2-10-7(12)11-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHNLFVMPCFWCSNU-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.59
Rot. Bonds6

About 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea

1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea (PubChem CID 103082295) has the molecular formula C7H14F2N2O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea
PubChem CID103082295
Molecular FormulaC7H14F2N2O2
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCOCC(F)F
InChIInChI=1S/C7H14F2N2O2/c1-2-10-7(12)11-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHNLFVMPCFWCSNU-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.59
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-(2,2-difluoroethoxy)ethyl]-3-ethylurea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea (CID 103082295) is 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea is CCNC(=O)NCCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea?
The InChIKey is HNLFVMPCFWCSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2/c1-2-10-7(12)11-3-4-13-5-6(8)9/h6H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea?
1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea has a molecular weight of 196.20 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)ethyl]-3-ethylurea is sourced from PubChem (CID 103082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).