3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole

C17H12FNS — CID 71680040

IUPAC3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole
SMILESFc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2
InChIInChI=1S/C17H12FNS/c18-11-5-6-17-14(9-11)12(7-8-20-17)15-10-19-16-4-2-1-3-13(15)16/h1-7,9-10,19H,8H2
InChIKeyUNLZDCWVKNOBLB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.84
Rot. Bonds1

About 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole

3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole (PubChem CID 71680040) has the molecular formula C17H12FNS and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole
PubChem CID71680040
Molecular FormulaC17H12FNS
Molecular Weight281.36 g/mol
Exact Mass281.07
IUPAC Name3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole
SMILESFc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2
InChIInChI=1S/C17H12FNS/c18-11-5-6-17-14(9-11)12(7-8-20-17)15-10-19-16-4-2-1-3-13(15)16/h1-7,9-10,19H,8H2
InChIKeyUNLZDCWVKNOBLB-UHFFFAOYSA-N
XLogP4.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-methyl-2H-thiochromen-4-yl)-1H-indole
CID 71680209
3-(8-fluoro-2H-chromen-4-yl)-1H-indole
CID 141330389
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
7-fluoro-1-(1H-indol-3-yl)-3-phenylisoquinolin-2-ium-2-amine
CID 44517364
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
methane;3-phenyl-1H-indole
CID 167711687
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 102222596
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole?
The IUPAC name of 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole (CID 71680040) is 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole.
What is the SMILES notation for 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole?
The canonical SMILES for 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole is Fc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2.
What is the InChIKey of 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole?
The InChIKey is UNLZDCWVKNOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNS/c18-11-5-6-17-14(9-11)12(7-8-20-17)15-10-19-16-4-2-1-3-13(15)16/h1-7,9-10,19H,8H2.
What are the key properties of 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole?
3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole has a molecular weight of 281.36 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2H-thiochromen-4-yl)-1H-indole is sourced from PubChem (CID 71680040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).