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

C17H7F5O2S — CID 122652926

IUPAC[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2F)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H
InChIKeyQVHCDCUIBFYPSB-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.05
Rot. Bonds3

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

[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652926) has the molecular formula C17H7F5O2S and a molecular weight of 370.30 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652926
Molecular FormulaC17H7F5O2S
Molecular Weight370.30 g/mol
Exact Mass370.01
IUPAC Name[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2F)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H
InChIKeyQVHCDCUIBFYPSB-UHFFFAOYSA-N
XLogP5.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.05
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-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652926) is [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccc(F)cc2F)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is QVHCDCUIBFYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F5O2S/c18-7-1-2-8(10(19)5-7)12-3-4-13(25-12)16(23)9-6-11(20)15(22)17(24)14(9)21/h1-6,24H.
What are the key properties of [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 370.30 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).