(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene

C11H13FS — CID 89233480

IUPAC(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene
SMILESCc1csc2c1=CC[C@](C)(CF)C=2
InChIInChI=1S/C11H13FS/c1-8-6-13-10-5-11(2,7-12)4-3-9(8)10/h3,5-6H,4,7H2,1-2H3/t11-/m0/s1
InChIKeyAVAFWEFSBADOJO-NSHDSACASA-N
MW196.29 g/mol
LogP2.00
Rot. Bonds1

About (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene

(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene (PubChem CID 89233480) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene.

Molecular Properties

Compound Name(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene
PubChem CID89233480
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene
SMILESCc1csc2c1=CC[C@](C)(CF)C=2
InChIInChI=1S/C11H13FS/c1-8-6-13-10-5-11(2,7-12)4-3-9(8)10/h3,5-6H,4,7H2,1-2H3/t11-/m0/s1
InChIKeyAVAFWEFSBADOJO-NSHDSACASA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
2-Ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 142489054
4-fluoro-7a-methyl-3aH-1-benzothiophene
CID 146626505
1-Fluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 153601051
7-Fluoro-6-methyl-5,6-dihydro-1-benzothiophene
CID 155372178
3-Fluoro-7-methyl-5,6-dihydro-1-benzothiophene
CID 166819398
(7aR)-7-fluoro-7a-methyl-3aH-1-benzothiophene
CID 167158508
1-Fluoro-2-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 171806626
4-Fluoro-2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 173055754
2-tert-Butyl-2H-thiopyran
CID 12427625
3-Methyl-6-(trifluoromethyl)-5,6-dihydro-1-benzothiophene
CID 154555449

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene?
The IUPAC name of (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene (CID 89233480) is (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene.
What is the SMILES notation for (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene?
The canonical SMILES for (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene is Cc1csc2c1=CC[C@](C)(CF)C=2.
What is the InChIKey of (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene?
The InChIKey is AVAFWEFSBADOJO-NSHDSACASA-N. The full InChI is InChI=1S/C11H13FS/c1-8-6-13-10-5-11(2,7-12)4-3-9(8)10/h3,5-6H,4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene?
(6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene has a molecular weight of 196.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(fluoromethyl)-3,6-dimethyl-5H-1-benzothiophene is sourced from PubChem (CID 89233480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).