[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol

C₁₈H₁₃F₄NO — CID 135053925

About [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol

[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol (PubChem CID 135053925) has the molecular formula C₁₈H₁₃F₄NO and a molecular weight of 335.30 g/mol. Its IUPAC name is [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol.

Molecular Properties

• Compound Name: [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
• PubChem CID: 135053925
• Molecular Formula: C₁₈H₁₃F₄NO
• Molecular Weight: 335.30 g/mol
• Exact Mass: 335.09
• IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol
• SMILES: OC(c1ccc(-n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C18H13F4NO/c19-13-5-8-15(16(11-13)18(20,21)22)17(24)12-3-6-14(7-4-12)23-9-1-2-10-23/h1-11,17,24H
• InChIKey: CVJBPPTZUMBPPQ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 25.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.30
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?

The IUPAC name of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol (CID 135053925) is [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol.

What is the SMILES notation for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?

The canonical SMILES for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol is OC(c1ccc(-n2cccc2)cc1)c1ccc(F)cc1C(F)(F)F.

What is the InChIKey of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?

The InChIKey is CVJBPPTZUMBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO/c19-13-5-8-15(16(11-13)18(20,21)22)17(24)12-3-6-14(7-4-12)23-9-1-2-10-23/h1-11,17,24H.

What are the key properties of [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol?

[4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol has a molecular weight of 335.30 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-2-(trifluoromethyl)phenyl]-(4-pyrrol-1-ylphenyl)methanol is sourced from PubChem (CID 135053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135053925 — identifiers, structure, computed properties (public domain)

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