2-(2,2-difluoroethoxy)ethylurea

C5H10F2N2O2 — CID 103090767

IUPAC2-(2,2-difluoroethoxy)ethylurea
SMILESNC(=O)NCCOCC(F)F
InChIInChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-9-5(8)10/h4H,1-3H2,(H3,8,9,10)
InChIKeyWDEXYLYDRYTGPC-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.06
Rot. Bonds5

About 2-(2,2-difluoroethoxy)ethylurea

2-(2,2-difluoroethoxy)ethylurea (PubChem CID 103090767) has the molecular formula C5H10F2N2O2 and a molecular weight of 168.14 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)ethylurea.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)ethylurea
PubChem CID103090767
Molecular FormulaC5H10F2N2O2
Molecular Weight168.14 g/mol
Exact Mass168.07
IUPAC Name2-(2,2-difluoroethoxy)ethylurea
SMILESNC(=O)NCCOCC(F)F
InChIInChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-9-5(8)10/h4H,1-3H2,(H3,8,9,10)
InChIKeyWDEXYLYDRYTGPC-UHFFFAOYSA-N
XLogP-0.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.06
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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Related Compounds

(2-Methoxyethyl)urea
CID 186068
N-(2,2,2-trifluoroethyl)morpholine-4-carboxamide
CID 660111
(2-Ethoxyethyl)urea
CID 22179647
1,5-Bis(ureido)-3-oxapentane
CID 20478758
2-(1,1,2,2-Tetrafluoroethoxy)ethylurea
CID 19845029
2-(1,2,2,2-Tetrafluoroethoxy)ethylurea
CID 57024872
N-[2-(2-aminoethoxy)ethyl]-2,2,2-trifluoroacetamide
CID 82354257
2-(Trifluoromethoxy)ethylurea
CID 131225743
1,3-Bis[2-(trifluoromethoxy)ethyl]urea
CID 176265421
1-(2,2-Difluoro-2-methoxyethyl)-3-methylurea
CID 178809307
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylurea
CID 178908832
1-(2,2-Difluoro-2-methoxyethyl)-3-propan-2-ylurea
CID 178909553

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)ethylurea?
The IUPAC name of 2-(2,2-difluoroethoxy)ethylurea (CID 103090767) is 2-(2,2-difluoroethoxy)ethylurea.
What is the SMILES notation for 2-(2,2-difluoroethoxy)ethylurea?
The canonical SMILES for 2-(2,2-difluoroethoxy)ethylurea is NC(=O)NCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)ethylurea?
The InChIKey is WDEXYLYDRYTGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2/c6-4(7)3-11-2-1-9-5(8)10/h4H,1-3H2,(H3,8,9,10).
What are the key properties of 2-(2,2-difluoroethoxy)ethylurea?
2-(2,2-difluoroethoxy)ethylurea has a molecular weight of 168.14 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)ethylurea is sourced from PubChem (CID 103090767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).