3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea

C8H16F2N2O2 — CID 103836921

IUPAC3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-12(4-2)8(14)11-5-6(13)7(9)10/h6-7,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyUEIAIXPYMWDFNG-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.66
Rot. Bonds5

About 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea

3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea (PubChem CID 103836921) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea
PubChem CID103836921
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea
SMILESCCN(CC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-12(4-2)8(14)11-5-6(13)7(9)10/h6-7,13H,3-5H2,1-2H3,(H,11,14)
InChIKeyUEIAIXPYMWDFNG-UHFFFAOYSA-N
XLogP0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea?
The IUPAC name of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea (CID 103836921) is 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea.
What is the SMILES notation for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea?
The canonical SMILES for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea is CCN(CC)C(=O)NCC(O)C(F)F.
What is the InChIKey of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea?
The InChIKey is UEIAIXPYMWDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-3-12(4-2)8(14)11-5-6(13)7(9)10/h6-7,13H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea?
3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea has a molecular weight of 210.22 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-2-hydroxypropyl)-1,1-diethylurea is sourced from PubChem (CID 103836921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).