(2,2-difluoro-3-hydroxypropyl)urea

C4H8F2N2O2 — CID 104859028

IUPAC(2,2-difluoro-3-hydroxypropyl)urea
SMILESNC(=O)NCC(F)(F)CO
InChIInChI=1S/C4H8F2N2O2/c5-4(6,2-9)1-8-3(7)10/h9H,1-2H2,(H3,7,8,10)
InChIKeyOIKSUJQIRIGCPU-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.72
Rot. Bonds3

About (2,2-difluoro-3-hydroxypropyl)urea

(2,2-difluoro-3-hydroxypropyl)urea (PubChem CID 104859028) has the molecular formula C4H8F2N2O2 and a molecular weight of 154.12 g/mol. Its IUPAC name is (2,2-difluoro-3-hydroxypropyl)urea.

Molecular Properties

Compound Name(2,2-difluoro-3-hydroxypropyl)urea
PubChem CID104859028
Molecular FormulaC4H8F2N2O2
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name(2,2-difluoro-3-hydroxypropyl)urea
SMILESNC(=O)NCC(F)(F)CO
InChIInChI=1S/C4H8F2N2O2/c5-4(6,2-9)1-8-3(7)10/h9H,1-2H2,(H3,7,8,10)
InChIKeyOIKSUJQIRIGCPU-UHFFFAOYSA-N
XLogP-0.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3-hydroxypropyl)urea?
The IUPAC name of (2,2-difluoro-3-hydroxypropyl)urea (CID 104859028) is (2,2-difluoro-3-hydroxypropyl)urea.
What is the SMILES notation for (2,2-difluoro-3-hydroxypropyl)urea?
The canonical SMILES for (2,2-difluoro-3-hydroxypropyl)urea is NC(=O)NCC(F)(F)CO.
What is the InChIKey of (2,2-difluoro-3-hydroxypropyl)urea?
The InChIKey is OIKSUJQIRIGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2/c5-4(6,2-9)1-8-3(7)10/h9H,1-2H2,(H3,7,8,10).
What are the key properties of (2,2-difluoro-3-hydroxypropyl)urea?
(2,2-difluoro-3-hydroxypropyl)urea has a molecular weight of 154.12 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3-hydroxypropyl)urea is sourced from PubChem (CID 104859028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).