3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene

C10H5F5S — CID 102259233

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
SMILESFC(F)(F)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C10H5F5S/c11-9(12,10(13,14)15)7-5-16-8-4-2-1-3-6(7)8/h1-5H
InChIKeyVNGVNFMUKXFKQP-UHFFFAOYSA-N
MW252.21 g/mol
LogP4.56
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene

3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene (PubChem CID 102259233) has the molecular formula C10H5F5S and a molecular weight of 252.21 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
PubChem CID102259233
Molecular FormulaC10H5F5S
Molecular Weight252.21 g/mol
Exact Mass252.00
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
SMILESFC(F)(F)C(F)(F)c1csc2ccccc12
InChIInChI=1S/C10H5F5S/c11-9(12,10(13,14)15)7-5-16-8-4-2-1-3-6(7)8/h1-5H
InChIKeyVNGVNFMUKXFKQP-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
3-(1,1-difluoro-2-methylpropyl)-1-benzothiophene
CID 116841490
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
CID 67815156
1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
CID 116839342
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
4-(1-benzothiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297334
3-(2-iodopentan-2-yl)-1-benzothiophene
CID 146406254
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
CID 177468045
3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 79830281
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
3-methyl-1-benzothiophene;zinc
CID 70563074

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene (CID 102259233) is 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene is FC(F)(F)C(F)(F)c1csc2ccccc12.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene?
The InChIKey is VNGVNFMUKXFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5S/c11-9(12,10(13,14)15)7-5-16-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene?
3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene has a molecular weight of 252.21 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene is sourced from PubChem (CID 102259233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).