2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide

C22H14F3NO2 — CID 90251358

IUPAC2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2)C(F)(F)F
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)21(28)26-14-9-10-17-15-6-2-3-7-16(15)18(19(17)12-14)11-13-5-1-4-8-20(13)27/h1-12,27H,(H,26,28)/b18-11+
InChIKeyVCXHRCODVGIMJI-WOJGMQOQSA-N
MW381.35 g/mol
LogP5.46
Rot. Bonds2

About 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide

2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide (PubChem CID 90251358) has the molecular formula C22H14F3NO2 and a molecular weight of 381.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide
PubChem CID90251358
Molecular FormulaC22H14F3NO2
Molecular Weight381.35 g/mol
Exact Mass381.10
IUPAC Name2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2)C(F)(F)F
InChIInChI=1S/C22H14F3NO2/c23-22(24,25)21(28)26-14-9-10-17-15-6-2-3-7-16(15)18(19(17)12-14)11-13-5-1-4-8-20(13)27/h1-12,27H,(H,26,28)/b18-11+
InChIKeyVCXHRCODVGIMJI-WOJGMQOQSA-N
XLogP5.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide (CID 90251358) is 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide is O=C(Nc1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide?
The InChIKey is VCXHRCODVGIMJI-WOJGMQOQSA-N. The full InChI is InChI=1S/C22H14F3NO2/c23-22(24,25)21(28)26-14-9-10-17-15-6-2-3-7-16(15)18(19(17)12-14)11-13-5-1-4-8-20(13)27/h1-12,27H,(H,26,28)/b18-11+.
What are the key properties of 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide?
2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 5.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(9E)-9-[(2-hydroxyphenyl)methylidene]fluoren-2-yl]acetamide is sourced from PubChem (CID 90251358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).