(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone

C18H13F2NO2S — CID 122652944

IUPAC(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESCCOc1ccc(F)c(C(=O)c2ccc(-c3cccnc3)s2)c1F
InChIInChI=1S/C18H13F2NO2S/c1-2-23-13-6-5-12(19)16(17(13)20)18(22)15-8-7-14(24-15)11-4-3-9-21-10-11/h3-10H,2H2,1H3
InChIKeyIPXSAIKEMWGMBK-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.72
Rot. Bonds5

About (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone

(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone (PubChem CID 122652944) has the molecular formula C18H13F2NO2S and a molecular weight of 345.37 g/mol. Its IUPAC name is (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
PubChem CID122652944
Molecular FormulaC18H13F2NO2S
Molecular Weight345.37 g/mol
Exact Mass345.06
IUPAC Name(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESCCOc1ccc(F)c(C(=O)c2ccc(-c3cccnc3)s2)c1F
InChIInChI=1S/C18H13F2NO2S/c1-2-23-13-6-5-12(19)16(17(13)20)18(22)15-8-7-14(24-15)11-4-3-9-21-10-11/h3-10H,2H2,1H3
InChIKeyIPXSAIKEMWGMBK-UHFFFAOYSA-N
XLogP4.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The IUPAC name of (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone (CID 122652944) is (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone.
What is the SMILES notation for (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The canonical SMILES for (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone is CCOc1ccc(F)c(C(=O)c2ccc(-c3cccnc3)s2)c1F.
What is the InChIKey of (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The InChIKey is IPXSAIKEMWGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2S/c1-2-23-13-6-5-12(19)16(17(13)20)18(22)15-8-7-14(24-15)11-4-3-9-21-10-11/h3-10H,2H2,1H3.
What are the key properties of (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
(3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone has a molecular weight of 345.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2,6-difluorophenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone is sourced from PubChem (CID 122652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).