(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C17H9F3O2S — CID 122652985

IUPAC(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H
InChIKeyFFYCIFJLWYAJDJ-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.77
Rot. Bonds3

About (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652985) has the molecular formula C17H9F3O2S and a molecular weight of 334.32 g/mol. Its IUPAC name is (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652985
Molecular FormulaC17H9F3O2S
Molecular Weight334.32 g/mol
Exact Mass334.03
IUPAC Name(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H
InChIKeyFFYCIFJLWYAJDJ-UHFFFAOYSA-N
XLogP4.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652985) is (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccccc2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is FFYCIFJLWYAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3O2S/c18-11-8-10(14(19)17(22)15(11)20)16(21)13-7-6-12(23-13)9-4-2-1-3-5-9/h1-8,22H.
What are the key properties of (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
(5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 334.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).