1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

C12H15F3N2O2 — CID 115619743

IUPAC1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CO)(NC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O2/c1-11(8-18,9-5-3-2-4-6-9)17-10(19)16-7-12(13,14)15/h2-6,18H,7-8H2,1H3,(H2,16,17,19)
InChIKeyQFECVBGFDRPWTL-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.76
Rot. Bonds4

About 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea

1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115619743) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115619743
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC(CO)(NC(=O)NCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O2/c1-11(8-18,9-5-3-2-4-6-9)17-10(19)16-7-12(13,14)15/h2-6,18H,7-8H2,1H3,(H2,16,17,19)
InChIKeyQFECVBGFDRPWTL-UHFFFAOYSA-N
XLogP1.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105057894
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
CID 105057886
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea (CID 115619743) is 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is CC(CO)(NC(=O)NCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QFECVBGFDRPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(8-18,9-5-3-2-4-6-9)17-10(19)16-7-12(13,14)15/h2-6,18H,7-8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 276.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).