1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea

C8H15F3N2O — CID 130894538

IUPAC1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
SMILESCC(C)NC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)12-6(14)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13,14)
InChIKeyOVRAXSVDFNAHPE-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.03
Rot. Bonds2

About 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea

1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea (PubChem CID 130894538) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
PubChem CID130894538
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
SMILESCC(C)NC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-5(2)12-6(14)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13,14)
InChIKeyOVRAXSVDFNAHPE-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea (CID 130894538) is 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea is CC(C)NC(=O)NC(C)(C)C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The InChIKey is OVRAXSVDFNAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-5(2)12-6(14)13-7(3,4)8(9,10)11/h5H,1-4H3,(H2,12,13,14).
What are the key properties of 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea has a molecular weight of 212.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea is sourced from PubChem (CID 130894538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).