1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea

C9H8ClF3N2O2 — CID 113463001

IUPAC1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H8ClF3N2O2/c10-6-2-1-5(3-7(6)16)15-8(17)14-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15,17)
InChIKeyCUBCLODJRWZBJF-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.73
Rot. Bonds2

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

1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113463001) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113463001
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C9H8ClF3N2O2/c10-6-2-1-5(3-7(6)16)15-8(17)14-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15,17)
InChIKeyCUBCLODJRWZBJF-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113457028
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
2-chloro-5-(2,2,2-trifluoroethylamino)phenol
CID 22034811
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55818009
2-chloro-5-(2,2,3,3-tetrafluoropropylcarbamoylamino)benzoic acid
CID 106294793
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115584060
1-(2-chloro-4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113224209
methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 113463001) is 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is CUBCLODJRWZBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c10-6-2-1-5(3-7(6)16)15-8(17)14-4-9(11,12)13/h1-3,16H,4H2,(H2,14,15,17).
What are the key properties of 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 268.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).