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

C10H11F3N2O2 — CID 47247873

IUPAC1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccc(O)cc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-15-9(17)14-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15,17)
InChIKeyIZKNORJLRVMGMM-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.75
Rot. Bonds3

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

1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47247873) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47247873
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCc1ccc(O)cc1)NCC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)6-15-9(17)14-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15,17)
InChIKeyIZKNORJLRVMGMM-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 47247873) is 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCc1ccc(O)cc1)NCC(F)(F)F.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IZKNORJLRVMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)6-15-9(17)14-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H2,14,15,17).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 248.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47247873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).