1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

C12H15F3N2O2 — CID 60781787

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-11(2,7-18)17-10(19)16-9-5-3-8(4-6-9)12(13,14)15/h3-6,18H,7H2,1-2H3,(H2,16,17,19)
InChIKeyCXXGFRWSWCWACE-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.60
Rot. Bonds3

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 60781787) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID60781787
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(C)(CO)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2/c1-11(2,7-18)17-10(19)16-9-5-3-8(4-6-9)12(13,14)15/h3-6,18H,7H2,1-2H3,(H2,16,17,19)
InChIKeyCXXGFRWSWCWACE-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 107847635
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
1-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 88569200
2-ethyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 139384639
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
methyl 3-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
CID 61315744
1-(cyanomethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61314990
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
1-(4-hydroxy-2-methylbutan-2-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 111926767
1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
CID 108866090

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 60781787) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is CC(C)(CO)NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is CXXGFRWSWCWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,7-18)17-10(19)16-9-5-3-8(4-6-9)12(13,14)15/h3-6,18H,7H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 276.26 g/mol, XLogP of 2.60, 3 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-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 60781787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).