5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole

C12H14FNS — CID 117176864

IUPAC5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
SMILESCC(C)SCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FNS/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3
InChIKeyNGAFJNZNOYNIPF-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.95
Rot. Bonds3

About 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole

5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole (PubChem CID 117176864) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
PubChem CID117176864
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
SMILESCC(C)SCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H14FNS/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3
InChIKeyNGAFJNZNOYNIPF-UHFFFAOYSA-N
XLogP3.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(propan-2-ylsulfanylmethyl)-1H-indol-5-yl]methanamine
CID 117176566
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
5-fluoro-2-pentyl-1H-indole;3,3,3-trifluoroprop-1-ene
CID 159912969
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
2-bromo-5-fluoro-1H-indole
CID 84680101
2-but-1-ynyl-4-fluoroaniline;2-ethyl-5-fluoro-1H-indole
CID 158995985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole?
The IUPAC name of 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole (CID 117176864) is 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole?
The canonical SMILES for 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole is CC(C)SCc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole?
The InChIKey is NGAFJNZNOYNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-8(2)15-7-11-6-9-5-10(13)3-4-12(9)14-11/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole?
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole has a molecular weight of 223.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 117176864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).