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

C8H14F2N2O2 — CID 104860786

IUPAC1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CCC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-11-7(14)12-6-2-1-3-6/h6,13H,1-5H2,(H2,11,12,14)
InChIKeyYANMDYYRAFIEKB-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.47
Rot. Bonds4

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

1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea (PubChem CID 104860786) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea
PubChem CID104860786
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea
SMILESO=C(NCC(F)(F)CO)NC1CCC1
InChIInChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-11-7(14)12-6-2-1-3-6/h6,13H,1-5H2,(H2,11,12,14)
InChIKeyYANMDYYRAFIEKB-UHFFFAOYSA-N
XLogP0.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859023
1-(3-Hydroxypropyl)-3-(trifluoromethyl)urea
CID 108865955
1-Cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 102675478
1-Cyclobutyl-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 102846906
1-Cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea
CID 103734265
1-(4-Hydroxypentan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104145106
1-Cyclopentyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104858631
1-Cyclopropyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104858637
1-Cyclohexyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859025
1-(2,2-Difluoro-3-hydroxypropyl)-3-ethylurea
CID 104859026
1-Butyl-3-(2,2-difluoro-3-hydroxypropyl)urea
CID 104859027
1-(2,2-Difluoro-3-hydroxypropyl)-3-propylurea
CID 104859029

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea (CID 104860786) is 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea is O=C(NCC(F)(F)CO)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
The InChIKey is YANMDYYRAFIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10,5-13)4-11-7(14)12-6-2-1-3-6/h6,13H,1-5H2,(H2,11,12,14).
What are the key properties of 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea?
1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea has a molecular weight of 208.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2-difluoro-3-hydroxypropyl)urea is sourced from PubChem (CID 104860786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).