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

C8H14F2N2O2 — CID 103734265

IUPAC1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)F)NC1CCC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-11-8(14)12-5-2-1-3-5/h5-7,13H,1-4H2,(H2,11,12,14)
InChIKeyKENXCZMOVLKJHV-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.46
Rot. Bonds4

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

1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea (PubChem CID 103734265) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea
PubChem CID103734265
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea
SMILESO=C(NCC(O)C(F)F)NC1CCC1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-11-8(14)12-5-2-1-3-5/h5-7,13H,1-4H2,(H2,11,12,14)
InChIKeyKENXCZMOVLKJHV-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The IUPAC name of 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea (CID 103734265) is 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea is O=C(NCC(O)C(F)F)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
The InChIKey is KENXCZMOVLKJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-7(10)6(13)4-11-8(14)12-5-2-1-3-5/h5-7,13H,1-4H2,(H2,11,12,14).
What are the key properties of 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea?
1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea has a molecular weight of 208.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,3-difluoro-2-hydroxypropyl)urea is sourced from PubChem (CID 103734265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).