2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene

C14H15FS — CID 143669678

IUPAC2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene
SMILESC/C=C(/C)c1sc2c(F)ccc(C)c2c1C
InChIInChI=1S/C14H15FS/c1-5-8(2)13-10(4)12-9(3)6-7-11(15)14(12)16-13/h5-7H,1-4H3/b8-5-
InChIKeyFZVUYPLYGAQLJQ-YVMONPNESA-N
MW234.34 g/mol
LogP5.08
Rot. Bonds1

About 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene

2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene (PubChem CID 143669678) has the molecular formula C14H15FS and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene.

Molecular Properties

Compound Name2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene
PubChem CID143669678
Molecular FormulaC14H15FS
Molecular Weight234.34 g/mol
Exact Mass234.09
IUPAC Name2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene
SMILESC/C=C(/C)c1sc2c(F)ccc(C)c2c1C
InChIInChI=1S/C14H15FS/c1-5-8(2)13-10(4)12-9(3)6-7-11(15)14(12)16-13/h5-7H,1-4H3/b8-5-
InChIKeyFZVUYPLYGAQLJQ-YVMONPNESA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene?
The IUPAC name of 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene (CID 143669678) is 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene.
What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene?
The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene is C/C=C(/C)c1sc2c(F)ccc(C)c2c1C.
What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene?
The InChIKey is FZVUYPLYGAQLJQ-YVMONPNESA-N. The full InChI is InChI=1S/C14H15FS/c1-5-8(2)13-10(4)12-9(3)6-7-11(15)14(12)16-13/h5-7H,1-4H3/b8-5-.
What are the key properties of 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene?
2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene has a molecular weight of 234.34 g/mol, XLogP of 5.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-en-2-yl]-7-fluoro-3,4-dimethyl-1-benzothiophene is sourced from PubChem (CID 143669678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).