1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea

C9H7Cl2F3N2O2 — CID 113457028

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-1-4(2-6(11)7(5)17)16-8(18)15-3-9(12,13)14/h1-2,17H,3H2,(H2,15,16,18)
InChIKeyHPLTURWCQOUPOZ-UHFFFAOYSA-N
MW303.07 g/mol
LogP3.38
Rot. Bonds2

About 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113457028) has the molecular formula C9H7Cl2F3N2O2 and a molecular weight of 303.07 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113457028
Molecular FormulaC9H7Cl2F3N2O2
Molecular Weight303.07 g/mol
Exact Mass301.98
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O2/c10-5-1-4(2-6(11)7(5)17)16-8(18)15-3-9(12,13)14/h1-2,17H,3H2,(H2,15,16,18)
InChIKeyHPLTURWCQOUPOZ-UHFFFAOYSA-N
XLogP3.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 53.38
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
N-(3,5-dichloro-4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104786861
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-butyl-3-(3,5-dichloro-4-hydroxyphenyl)urea
CID 82884668
ethyl 3-[(3,5-dichloro-4-hydroxyphenyl)carbamoylamino]propanoate
CID 69010613
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576403
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 113457028) is 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HPLTURWCQOUPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O2/c10-5-1-4(2-6(11)7(5)17)16-8(18)15-3-9(12,13)14/h1-2,17H,3H2,(H2,15,16,18).
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 303.07 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113457028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).