1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

C10H11F3N2O2 — CID 54012977

IUPAC1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(c1ccc(C(F)(F)F)cc1)N(O)C(N)=O
InChIInChI=1S/C10H11F3N2O2/c1-6(15(17)9(14)16)7-2-4-8(5-3-7)10(11,12)13/h2-6,17H,1H3,(H2,14,16)
InChIKeyKTRGCESTOKAHEA-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.54
Rot. Bonds2

About 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea

1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 54012977) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID54012977
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(c1ccc(C(F)(F)F)cc1)N(O)C(N)=O
InChIInChI=1S/C10H11F3N2O2/c1-6(15(17)9(14)16)7-2-4-8(5-3-7)10(11,12)13/h2-6,17H,1H3,(H2,14,16)
InChIKeyKTRGCESTOKAHEA-UHFFFAOYSA-N
XLogP2.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 54012977) is 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(c1ccc(C(F)(F)F)cc1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is KTRGCESTOKAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(15(17)9(14)16)7-2-4-8(5-3-7)10(11,12)13/h2-6,17H,1H3,(H2,14,16).
What are the key properties of 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 248.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 54012977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).