1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea

C11H13F3N2O2 — CID 47252497

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(Cc1ccc(O)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(10(18)15-7-11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,17H,6-7H2,1H3,(H,15,18)
InChIKeyZIPSOFQMWZWCEX-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.10
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47252497) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID47252497
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(Cc1ccc(O)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(10(18)15-7-11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,17H,6-7H2,1H3,(H,15,18)
InChIKeyZIPSOFQMWZWCEX-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 47252497) is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(Cc1ccc(O)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZIPSOFQMWZWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(10(18)15-7-11(12,13)14)6-8-2-4-9(17)5-3-8/h2-5,17H,6-7H2,1H3,(H,15,18).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 262.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47252497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).