1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea

C6H11F3N2O2 — CID 108866090

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
SMILESCC(C)(CO)NC(=O)NC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-5(2,3-12)10-4(13)11-6(7,8)9/h12H,3H2,1-2H3,(H2,10,11,13)
InChIKeyHFNUPGMDILVCAY-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.58
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea (PubChem CID 108866090) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
PubChem CID108866090
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
SMILESCC(C)(CO)NC(=O)NC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-5(2,3-12)10-4(13)11-6(7,8)9/h12H,3H2,1-2H3,(H2,10,11,13)
InChIKeyHFNUPGMDILVCAY-UHFFFAOYSA-N
XLogP0.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea (CID 108866090) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea is CC(C)(CO)NC(=O)NC(F)(F)F.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea?
The InChIKey is HFNUPGMDILVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-5(2,3-12)10-4(13)11-6(7,8)9/h12H,3H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea has a molecular weight of 200.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea is sourced from PubChem (CID 108866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).