2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane

C8H7F5OS — CID 164867478

IUPAC2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2c(c1)OCC2
InChIInChI=1S/C8H7F5OS/c9-15(10,11,12,13)7-2-1-6-3-4-14-8(6)5-7/h1-2,5H,3-4H2
InChIKeyFGZSQMTYAMTCND-UHFFFAOYSA-N
MW246.20 g/mol
LogP4.28
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane

2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane (PubChem CID 164867478) has the molecular formula C8H7F5OS and a molecular weight of 246.20 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane
PubChem CID164867478
Molecular FormulaC8H7F5OS
Molecular Weight246.20 g/mol
Exact Mass246.01
IUPAC Name2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2c(c1)OCC2
InChIInChI=1S/C8H7F5OS/c9-15(10,11,12,13)7-2-1-6-3-4-14-8(6)5-7/h1-2,5H,3-4H2
InChIKeyFGZSQMTYAMTCND-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
6-isocyanato-2,3-dihydro-1-benzofuran
CID 83914245
1-(2,3-dihydro-1-benzofuran-6-yl)ethanamine;hydrochloride
CID 91758963
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
3-(2,3-dihydro-1-benzofuran-6-yl)thietan-3-ol
CID 131076574

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane?
The IUPAC name of 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane (CID 164867478) is 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane?
The canonical SMILES for 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc2c(c1)OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane?
The InChIKey is FGZSQMTYAMTCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5OS/c9-15(10,11,12,13)7-2-1-6-3-4-14-8(6)5-7/h1-2,5H,3-4H2.
What are the key properties of 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane?
2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane has a molecular weight of 246.20 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-6-yl(pentafluoro)-λ6-sulfane is sourced from PubChem (CID 164867478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).