1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea

C9H15F3N2O — CID 104854890

IUPAC1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
SMILESCC(CC(F)(F)F)NC(=O)NC1CCC1
InChIInChI=1S/C9H15F3N2O/c1-6(5-9(10,11)12)13-8(15)14-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHODZAWMAOSTNLM-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.18
Rot. Bonds3

About 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea

1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea (PubChem CID 104854890) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
PubChem CID104854890
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea
SMILESCC(CC(F)(F)F)NC(=O)NC1CCC1
InChIInChI=1S/C9H15F3N2O/c1-6(5-9(10,11)12)13-8(15)14-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15)
InChIKeyHODZAWMAOSTNLM-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 127009415
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CID 104859022
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
1-(4-aminopentan-2-yl)-3-cyclobutylurea
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CID 115640204
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CID 116657212
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-cyclobutyl-3-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
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CID 62698349

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea (CID 104854890) is 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea is CC(CC(F)(F)F)NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea?
The InChIKey is HODZAWMAOSTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(5-9(10,11)12)13-8(15)14-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea?
1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4,4,4-trifluorobutan-2-yl)urea is sourced from PubChem (CID 104854890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).