4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran

C19H14F2OS — CID 122209222

IUPAC4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran
SMILESFc1ccc(-c2cc3cc(C4=CCOCC4)ccc3s2)c(F)c1
InChIInChI=1S/C19H14F2OS/c20-15-2-3-16(17(21)11-15)19-10-14-9-13(1-4-18(14)23-19)12-5-7-22-8-6-12/h1-5,9-11H,6-8H2
InChIKeyYNAZONBZMVKSLD-UHFFFAOYSA-N
MW328.38 g/mol
LogP5.65
Rot. Bonds2

About 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran

4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran (PubChem CID 122209222) has the molecular formula C19H14F2OS and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran
PubChem CID122209222
Molecular FormulaC19H14F2OS
Molecular Weight328.38 g/mol
Exact Mass328.07
IUPAC Name4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran
SMILESFc1ccc(-c2cc3cc(C4=CCOCC4)ccc3s2)c(F)c1
InChIInChI=1S/C19H14F2OS/c20-15-2-3-16(17(21)11-15)19-10-14-9-13(1-4-18(14)23-19)12-5-7-22-8-6-12/h1-5,9-11H,6-8H2
InChIKeyYNAZONBZMVKSLD-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran (CID 122209222) is 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran is Fc1ccc(-c2cc3cc(C4=CCOCC4)ccc3s2)c(F)c1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran?
The InChIKey is YNAZONBZMVKSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2OS/c20-15-2-3-16(17(21)11-15)19-10-14-9-13(1-4-18(14)23-19)12-5-7-22-8-6-12/h1-5,9-11H,6-8H2.
What are the key properties of 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran?
4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran has a molecular weight of 328.38 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)-1-benzothiophen-5-yl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122209222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).