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

C7H12F2N2O2 — CID 104858637

IUPAC1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CC1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,4-12)3-10-6(13)11-5-1-2-5/h5,12H,1-4H2,(H2,10,11,13)
InChIKeyLQQWBJRJZNPFOZ-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.08
Rot. Bonds4

About 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea

1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea (PubChem CID 104858637) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea
PubChem CID104858637
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CC1
InChIInChI=1S/C7H12F2N2O2/c8-7(9,4-12)3-10-6(13)11-5-1-2-5/h5,12H,1-4H2,(H2,10,11,13)
InChIKeyLQQWBJRJZNPFOZ-UHFFFAOYSA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea (CID 104858637) is 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea is O=C(NCC(F)(F)CO)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The InChIKey is LQQWBJRJZNPFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-7(9,4-12)3-10-6(13)11-5-1-2-5/h5,12H,1-4H2,(H2,10,11,13).
What are the key properties of 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea has a molecular weight of 194.18 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea is sourced from PubChem (CID 104858637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).