1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea

C11H13F3N2O2 — CID 61347612

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-7(17)8-2-4-9(5-3-8)16-10(18)15-6-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18)
InChIKeyQKSNQPHWMDZIEX-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 61347612) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID61347612
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c1-7(17)8-2-4-9(5-3-8)16-10(18)15-6-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18)
InChIKeyQKSNQPHWMDZIEX-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 114943941
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61341241
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
methyl 4-(2,2,2-trifluoroethylcarbamoylamino)benzoate
CID 115584006
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
3-hydroxy-N-[4-(1-hydroxyethyl)phenyl]butanamide
CID 110178597
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 61347612) is 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea is CC(O)c1ccc(NC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QKSNQPHWMDZIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(17)8-2-4-9(5-3-8)16-10(18)15-6-11(12,13)14/h2-5,7,17H,6H2,1H3,(H2,15,16,18).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 262.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 61347612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).