1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea

C10H11F3N2O2 — CID 86795263

IUPAC1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cc(NC(=O)NCC(F)(F)F)ccc1O
InChIInChI=1S/C10H11F3N2O2/c1-6-4-7(2-3-8(6)16)15-9(17)14-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15,17)
InChIKeyZFZVRBUGNUJZCQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.38
Rot. Bonds2

About 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 86795263) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID86795263
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCc1cc(NC(=O)NCC(F)(F)F)ccc1O
InChIInChI=1S/C10H11F3N2O2/c1-6-4-7(2-3-8(6)16)15-9(17)14-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15,17)
InChIKeyZFZVRBUGNUJZCQ-UHFFFAOYSA-N
XLogP2.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.38
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-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
1-(3-methyl-1-benzofuran-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 122133068
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 3263261
methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113457028
1-(5-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584022

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 86795263) is 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is Cc1cc(NC(=O)NCC(F)(F)F)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZFZVRBUGNUJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6-4-7(2-3-8(6)16)15-9(17)14-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15,17).
What are the key properties of 1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 248.20 g/mol, XLogP of 2.38, 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-methylphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 86795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).