1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone

C18H13FOS — CID 146006710

IUPAC1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H13FOS/c19-17-11-14(18(20)12-15-7-4-10-21-15)8-9-16(17)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyPZUIHEGDMWQCHF-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.98
Rot. Bonds4

About 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone

1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone (PubChem CID 146006710) has the molecular formula C18H13FOS and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
PubChem CID146006710
Molecular FormulaC18H13FOS
Molecular Weight296.37 g/mol
Exact Mass296.07
IUPAC Name1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C18H13FOS/c19-17-11-14(18(20)12-15-7-4-10-21-15)8-9-16(17)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyPZUIHEGDMWQCHF-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone (CID 146006710) is 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone?
The InChIKey is PZUIHEGDMWQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FOS/c19-17-11-14(18(20)12-15-7-4-10-21-15)8-9-16(17)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone?
1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone has a molecular weight of 296.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-phenylphenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 146006710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).