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

C8H7F3N2O2 — CID 4106892

IUPAC1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NO)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-2-1-3-6(4-5)12-7(14)13-15/h1-4,15H,(H2,12,13,14)
InChIKeyRHKPLZXQOSKYAP-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.22
Rot. Bonds1

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

1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4106892) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4106892
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(NO)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-2-1-3-6(4-5)12-7(14)13-15/h1-4,15H,(H2,12,13,14)
InChIKeyRHKPLZXQOSKYAP-UHFFFAOYSA-N
XLogP2.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.22
H-Bond Donors ≤ 53
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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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
(2R)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 78972964
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea (CID 4106892) is 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea is O=C(NO)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is RHKPLZXQOSKYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-2-1-3-6(4-5)12-7(14)13-15/h1-4,15H,(H2,12,13,14).
What are the key properties of 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea?
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 220.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4106892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).