2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

C16H12F5NO2 — CID 56764205

IUPAC2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C16H12F5NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23)
InChIKeySJDJSGZSYSFSTM-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.14
Rot. Bonds4

About 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide

2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 56764205) has the molecular formula C16H12F5NO2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
PubChem CID56764205
Molecular FormulaC16H12F5NO2
Molecular Weight345.27 g/mol
Exact Mass345.08
IUPAC Name2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C16H12F5NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23)
InChIKeySJDJSGZSYSFSTM-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide (CID 56764205) is 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is SJDJSGZSYSFSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO2/c17-11-7-4-8-12(18)13(11)14(23)22-9-15(24,16(19,20)21)10-5-2-1-3-6-10/h1-8,24H,9H2,(H,22,23).
What are the key properties of 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide?
2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 345.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 56764205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).