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

C6H12F2N2O2 — CID 103090783

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-9-6(11)10-2-3-12-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyYWSFMGZGONHKPL-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.20
Rot. Bonds5

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

1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea (PubChem CID 103090783) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea
PubChem CID103090783
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea
SMILESCNC(=O)NCCOCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-9-6(11)10-2-3-12-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11)
InChIKeyYWSFMGZGONHKPL-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'}

Analyze 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Methoxyethyl)urea
CID 186068
N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 660111
(2-Ethoxyethyl)urea
CID 22179647
Urea, N,N'-bis(2-methoxyethyl)-
CID 81288
2-(1,1,2,2-Tetrafluoroethoxy)ethylurea
CID 19845029
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
2-(1,2,2,2-Tetrafluoroethoxy)ethylurea
CID 57024872
1-(2,2-Diethoxyethyl)-3-(trifluoromethyl)urea
CID 108866130
2-(Trifluoromethoxy)ethylurea
CID 131225743
1,3-Bis[2-(trifluoromethoxy)ethyl]urea
CID 176265421
1-Ethyl-3-(2-methoxyethyl)urea
CID 4113676
2,2,2-trifluoro-N-((2-methoxyethyl)carbamoyl)acetamide
CID 1630743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea (CID 103090783) is 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea is CNC(=O)NCCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea?
The InChIKey is YWSFMGZGONHKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-9-6(11)10-2-3-12-4-5(7)8/h5H,2-4H2,1H3,(H2,9,10,11).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea?
1-[2-(2,2-difluoroethoxy)ethyl]-3-methylurea 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-(2,2-difluoroethoxy)ethyl]-3-methylurea is sourced from PubChem (CID 103090783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).