6-fluoro-2-methyl-4H-thieno[3,2-b]indole

C11H8FNS — CID 121385599

IUPAC6-fluoro-2-methyl-4H-thieno[3,2-b]indole
SMILESCc1cc2[nH]c3cc(F)ccc3c2s1
InChIInChI=1S/C11H8FNS/c1-6-4-10-11(14-6)8-3-2-7(12)5-9(8)13-10/h2-5,13H,1H3
InChIKeyNXAULFVCTCPWOF-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.83
Rot. Bonds

About 6-fluoro-2-methyl-4H-thieno[3,2-b]indole

6-fluoro-2-methyl-4H-thieno[3,2-b]indole (PubChem CID 121385599) has the molecular formula C11H8FNS and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-fluoro-2-methyl-4H-thieno[3,2-b]indole.

Molecular Properties

Compound Name6-fluoro-2-methyl-4H-thieno[3,2-b]indole
PubChem CID121385599
Molecular FormulaC11H8FNS
Molecular Weight205.26 g/mol
Exact Mass205.04
IUPAC Name6-fluoro-2-methyl-4H-thieno[3,2-b]indole
SMILESCc1cc2[nH]c3cc(F)ccc3c2s1
InChIInChI=1S/C11H8FNS/c1-6-4-10-11(14-6)8-3-2-7(12)5-9(8)13-10/h2-5,13H,1H3
InChIKeyNXAULFVCTCPWOF-UHFFFAOYSA-N
XLogP3.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,9-bis(4-fluorophenyl)-14-methyl-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene
CID 163587112
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-4H-thieno[3,2-b]indole?
The IUPAC name of 6-fluoro-2-methyl-4H-thieno[3,2-b]indole (CID 121385599) is 6-fluoro-2-methyl-4H-thieno[3,2-b]indole.
What is the SMILES notation for 6-fluoro-2-methyl-4H-thieno[3,2-b]indole?
The canonical SMILES for 6-fluoro-2-methyl-4H-thieno[3,2-b]indole is Cc1cc2[nH]c3cc(F)ccc3c2s1.
What is the InChIKey of 6-fluoro-2-methyl-4H-thieno[3,2-b]indole?
The InChIKey is NXAULFVCTCPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNS/c1-6-4-10-11(14-6)8-3-2-7(12)5-9(8)13-10/h2-5,13H,1H3.
What are the key properties of 6-fluoro-2-methyl-4H-thieno[3,2-b]indole?
6-fluoro-2-methyl-4H-thieno[3,2-b]indole has a molecular weight of 205.26 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-4H-thieno[3,2-b]indole is sourced from PubChem (CID 121385599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).