5-chloro-3-(fluoromethyl)-1-benzothiophene

C9H6ClFS — CID 155679783

IUPAC5-chloro-3-(fluoromethyl)-1-benzothiophene
SMILESFCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H6ClFS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4H2
InChIKeyDEOHIDNSYLJEIO-UHFFFAOYSA-N
MW200.67 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-3-(fluoromethyl)-1-benzothiophene

5-chloro-3-(fluoromethyl)-1-benzothiophene (PubChem CID 155679783) has the molecular formula C9H6ClFS and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-3-(fluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-(fluoromethyl)-1-benzothiophene
PubChem CID155679783
Molecular FormulaC9H6ClFS
Molecular Weight200.67 g/mol
Exact Mass199.99
IUPAC Name5-chloro-3-(fluoromethyl)-1-benzothiophene
SMILESFCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H6ClFS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4H2
InChIKeyDEOHIDNSYLJEIO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(fluoromethyl)-1-benzothiophene?
The IUPAC name of 5-chloro-3-(fluoromethyl)-1-benzothiophene (CID 155679783) is 5-chloro-3-(fluoromethyl)-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-(fluoromethyl)-1-benzothiophene?
The canonical SMILES for 5-chloro-3-(fluoromethyl)-1-benzothiophene is FCc1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(fluoromethyl)-1-benzothiophene?
The InChIKey is DEOHIDNSYLJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4H2.
What are the key properties of 5-chloro-3-(fluoromethyl)-1-benzothiophene?
5-chloro-3-(fluoromethyl)-1-benzothiophene has a molecular weight of 200.67 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(fluoromethyl)-1-benzothiophene is sourced from PubChem (CID 155679783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).