1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea

C8H16F2N2O2 — CID 103082289

IUPAC1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(2)12-8(13)11-3-4-14-5-7(9)10/h6-7H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyJZHIXSIKAFNEDR-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.98
Rot. Bonds6

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

1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea (PubChem CID 103082289) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea
PubChem CID103082289
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-6(2)12-8(13)11-3-4-14-5-7(9)10/h6-7H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyJZHIXSIKAFNEDR-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.98
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-propan-2-ylurea?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea (CID 103082289) is 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCOCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea?
The InChIKey is JZHIXSIKAFNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-6(2)12-8(13)11-3-4-14-5-7(9)10/h6-7H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea?
1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-ylurea has a molecular weight of 210.22 g/mol, XLogP of 0.98, 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-propan-2-ylurea is sourced from PubChem (CID 103082289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).