1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea

C16H14F4N2O2 — CID 56764255

IUPAC1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C16H14F4N2O2/c17-12-8-4-5-9-13(12)22-14(23)21-10-15(24,16(18,19)20)11-6-2-1-3-7-11/h1-9,24H,10H2,(H2,21,22,23)
InChIKeyYNUYWPSIULUYQG-UHFFFAOYSA-N
MW342.29 g/mol
LogP3.40
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea

1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea (PubChem CID 56764255) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
PubChem CID56764255
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)Nc1ccccc1F
InChIInChI=1S/C16H14F4N2O2/c17-12-8-4-5-9-13(12)22-14(23)21-10-15(24,16(18,19)20)11-6-2-1-3-7-11/h1-9,24H,10H2,(H2,21,22,23)
InChIKeyYNUYWPSIULUYQG-UHFFFAOYSA-N
XLogP3.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea (CID 56764255) is 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea is O=C(NCC(O)(c1ccccc1)C(F)(F)F)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
The InChIKey is YNUYWPSIULUYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c17-12-8-4-5-9-13(12)22-14(23)21-10-15(24,16(18,19)20)11-6-2-1-3-7-11/h1-9,24H,10H2,(H2,21,22,23).
What are the key properties of 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea?
1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea has a molecular weight of 342.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 56764255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).