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

C7H14F2N2O2 — CID 104859029

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea
SMILESCCCNC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H14F2N2O2/c1-2-3-10-6(13)11-4-7(8,9)5-12/h12H,2-5H2,1H3,(H2,10,11,13)
InChIKeyQSSJXVCTFSWHCO-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.32
Rot. Bonds5

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

1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea (PubChem CID 104859029) has the molecular formula C7H14F2N2O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea
PubChem CID104859029
Molecular FormulaC7H14F2N2O2
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea
SMILESCCCNC(=O)NCC(F)(F)CO
InChIInChI=1S/C7H14F2N2O2/c1-2-3-10-6(13)11-4-7(8,9)5-12/h12H,2-5H2,1H3,(H2,10,11,13)
InChIKeyQSSJXVCTFSWHCO-UHFFFAOYSA-N
XLogP0.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea (CID 104859029) is 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea is CCCNC(=O)NCC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea?
The InChIKey is QSSJXVCTFSWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2/c1-2-3-10-6(13)11-4-7(8,9)5-12/h12H,2-5H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea?
1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea has a molecular weight of 196.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-3-propylurea is sourced from PubChem (CID 104859029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).