1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea

C7H11F5N2O2 — CID 103081959

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCC(F)F)NCC(F)(F)F
InChIInChI=1S/C7H11F5N2O2/c8-5(9)3-16-2-1-13-6(15)14-4-7(10,11)12/h5H,1-4H2,(H2,13,14,15)
InChIKeyLECZOAQDVMRRAX-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.13
Rot. Bonds6

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

1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103081959) has the molecular formula C7H11F5N2O2 and a molecular weight of 250.17 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103081959
Molecular FormulaC7H11F5N2O2
Molecular Weight250.17 g/mol
Exact Mass250.07
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCOCC(F)F)NCC(F)(F)F
InChIInChI=1S/C7H11F5N2O2/c8-5(9)3-16-2-1-13-6(15)14-4-7(10,11)12/h5H,1-4H2,(H2,13,14,15)
InChIKeyLECZOAQDVMRRAX-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.13
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-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 103081959) is 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCCOCC(F)F)NCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is LECZOAQDVMRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O2/c8-5(9)3-16-2-1-13-6(15)14-4-7(10,11)12/h5H,1-4H2,(H2,13,14,15).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(2,2-difluoroethoxy)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 250.17 g/mol, XLogP of 1.13, 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-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).