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

C15H10F6N2O2 — CID 19433217

IUPAC1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-3-9(4-2-8)22-13(25)23-10-5-6-12(24)11(7-10)15(19,20)21/h1-7,24H,(H2,22,23,25)
InChIKeyOHJDPHGCUSTAAV-UHFFFAOYSA-N
MW364.25 g/mol
LogP5.07
Rot. Bonds2

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

1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 19433217) has the molecular formula C15H10F6N2O2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID19433217
Molecular FormulaC15H10F6N2O2
Molecular Weight364.25 g/mol
Exact Mass364.06
IUPAC Name1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-3-9(4-2-8)22-13(25)23-10-5-6-12(24)11(7-10)15(19,20)21/h1-7,24H,(H2,22,23,25)
InChIKeyOHJDPHGCUSTAAV-UHFFFAOYSA-N
XLogP5.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
1-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57339941
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(3-formylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 87362484
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 19433217) is 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is OHJDPHGCUSTAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2O2/c16-14(17,18)8-1-3-9(4-2-8)22-13(25)23-10-5-6-12(24)11(7-10)15(19,20)21/h1-7,24H,(H2,22,23,25).
What are the key properties of 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 364.25 g/mol, XLogP of 5.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 19433217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).