5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene

C11H9F3S — CID 134184955

IUPAC5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene
SMILESFC(F)(F)/C=C\C1C=c2ccsc2=CC1
InChIInChI=1S/C11H9F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h2-8H,1H2/b5-3-
InChIKeyKYWPZTVSDIXNHJ-HYXAFXHYSA-N
MW230.25 g/mol
LogP2.45
Rot. Bonds1

About 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene

5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene (PubChem CID 134184955) has the molecular formula C11H9F3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene.

Molecular Properties

Compound Name5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene
PubChem CID134184955
Molecular FormulaC11H9F3S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene
SMILESFC(F)(F)/C=C\C1C=c2ccsc2=CC1
InChIInChI=1S/C11H9F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h2-8H,1H2/b5-3-
InChIKeyKYWPZTVSDIXNHJ-HYXAFXHYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene?
The IUPAC name of 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene (CID 134184955) is 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene.
What is the SMILES notation for 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene?
The canonical SMILES for 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene is FC(F)(F)/C=C\C1C=c2ccsc2=CC1.
What is the InChIKey of 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene?
The InChIKey is KYWPZTVSDIXNHJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H9F3S/c12-11(13,14)5-3-8-1-2-10-9(7-8)4-6-15-10/h2-8H,1H2/b5-3-.
What are the key properties of 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene?
5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene has a molecular weight of 230.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3,3,3-trifluoroprop-1-enyl]-5,6-dihydro-1-benzothiophene is sourced from PubChem (CID 134184955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).