[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C17H10F3NO2S — CID 122652901

IUPAC[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESNc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C17H10F3NO2S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,23H,21H2
InChIKeyQVAYMJDZQBQRGP-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.35
Rot. Bonds3

About [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652901) has the molecular formula C17H10F3NO2S and a molecular weight of 349.33 g/mol. Its IUPAC name is [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652901
Molecular FormulaC17H10F3NO2S
Molecular Weight349.33 g/mol
Exact Mass349.04
IUPAC Name[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESNc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1
InChIInChI=1S/C17H10F3NO2S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,23H,21H2
InChIKeyQVAYMJDZQBQRGP-UHFFFAOYSA-N
XLogP4.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652901) is [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is Nc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1.
What is the InChIKey of [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is QVAYMJDZQBQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2S/c18-11-7-10(14(19)17(23)15(11)20)16(22)13-5-4-12(24-13)8-2-1-3-9(21)6-8/h1-7,23H,21H2.
What are the key properties of [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 349.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).