2-(1,2,2,2-tetrafluoroethoxy)ethylurea

C5H8F4N2O2 — CID 57024872

IUPAC2-(1,2,2,2-tetrafluoroethoxy)ethylurea
SMILESNC(=O)NCCOC(F)C(F)(F)F
InChIInChI=1S/C5H8F4N2O2/c6-3(5(7,8)9)13-2-1-11-4(10)12/h3H,1-2H2,(H3,10,11,12)
InChIKeyXRMDUTAWWNLZCX-UHFFFAOYSA-N
MW204.12 g/mol
LogP0.53
Rot. Bonds4

About 2-(1,2,2,2-tetrafluoroethoxy)ethylurea

2-(1,2,2,2-tetrafluoroethoxy)ethylurea (PubChem CID 57024872) has the molecular formula C5H8F4N2O2 and a molecular weight of 204.12 g/mol. Its IUPAC name is 2-(1,2,2,2-tetrafluoroethoxy)ethylurea.

Molecular Properties

Compound Name2-(1,2,2,2-tetrafluoroethoxy)ethylurea
PubChem CID57024872
Molecular FormulaC5H8F4N2O2
Molecular Weight204.12 g/mol
Exact Mass204.05
IUPAC Name2-(1,2,2,2-tetrafluoroethoxy)ethylurea
SMILESNC(=O)NCCOC(F)C(F)(F)F
InChIInChI=1S/C5H8F4N2O2/c6-3(5(7,8)9)13-2-1-11-4(10)12/h3H,1-2H2,(H3,10,11,12)
InChIKeyXRMDUTAWWNLZCX-UHFFFAOYSA-N
XLogP0.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 50.53
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-propan-2-yloxyethylurea
CID 22179539
2-(trifluoromethoxy)ethylurea
CID 131225743
bis[2-(carbamoylamino)ethyl] oxalate
CID 175560213
2-[2-(trifluoromethoxy)ethylamino]ethylurea
CID 83113028
2-(carbamoylamino)ethyl 2-chloroacetate
CID 21179128
1,1,1,2-tetrafluoro-2-(2-fluoroethoxy)ethane
CID 12856929
2-amino-2-[3-(carbamoylamino)propoxy]acetic acid
CID 170319447
3-[2-[2-[1-[2-(carbamoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 173187285
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylurea
CID 71392373
2-(carbamoylamino)ethyl hydrogen sulfate
CID 174347909
(2S)-2-amino-3-[2-(carbamoylamino)ethoxy]propanoic acid
CID 121421901
2-(carbamoylamino)ethyl 2,2-dimethylbutanoate
CID 153178486

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetrafluoroethoxy)ethylurea?
The IUPAC name of 2-(1,2,2,2-tetrafluoroethoxy)ethylurea (CID 57024872) is 2-(1,2,2,2-tetrafluoroethoxy)ethylurea.
What is the SMILES notation for 2-(1,2,2,2-tetrafluoroethoxy)ethylurea?
The canonical SMILES for 2-(1,2,2,2-tetrafluoroethoxy)ethylurea is NC(=O)NCCOC(F)C(F)(F)F.
What is the InChIKey of 2-(1,2,2,2-tetrafluoroethoxy)ethylurea?
The InChIKey is XRMDUTAWWNLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4N2O2/c6-3(5(7,8)9)13-2-1-11-4(10)12/h3H,1-2H2,(H3,10,11,12).
What are the key properties of 2-(1,2,2,2-tetrafluoroethoxy)ethylurea?
2-(1,2,2,2-tetrafluoroethoxy)ethylurea has a molecular weight of 204.12 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetrafluoroethoxy)ethylurea is sourced from PubChem (CID 57024872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).