[3-(trifluoromethyl)cyclobutyl]urea

C6H9F3N2O — CID 126996373

IUPAC[3-(trifluoromethyl)cyclobutyl]urea
SMILESNC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12)
InChIKeyAZCADMPYNHBWOV-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.00
Rot. Bonds1

About [3-(trifluoromethyl)cyclobutyl]urea

[3-(trifluoromethyl)cyclobutyl]urea (PubChem CID 126996373) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is [3-(trifluoromethyl)cyclobutyl]urea.

Molecular Properties

Compound Name[3-(trifluoromethyl)cyclobutyl]urea
PubChem CID126996373
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name[3-(trifluoromethyl)cyclobutyl]urea
SMILESNC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12)
InChIKeyAZCADMPYNHBWOV-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)cyclobutyl]urea?
The IUPAC name of [3-(trifluoromethyl)cyclobutyl]urea (CID 126996373) is [3-(trifluoromethyl)cyclobutyl]urea.
What is the SMILES notation for [3-(trifluoromethyl)cyclobutyl]urea?
The canonical SMILES for [3-(trifluoromethyl)cyclobutyl]urea is NC(=O)NC1CC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)cyclobutyl]urea?
The InChIKey is AZCADMPYNHBWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)3-1-4(2-3)11-5(10)12/h3-4H,1-2H2,(H3,10,11,12).
What are the key properties of [3-(trifluoromethyl)cyclobutyl]urea?
[3-(trifluoromethyl)cyclobutyl]urea has a molecular weight of 182.14 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)cyclobutyl]urea is sourced from PubChem (CID 126996373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).