5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole

C15H20FNS — CID 117175718

IUPAC5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
SMILESCC(C)SCc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H20FNS/c1-10(2)17-8-12(9-18-11(3)4)14-7-13(16)5-6-15(14)17/h5-8,10-11H,9H2,1-4H3
InChIKeyFONXVSUWRWLAKN-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.00
Rot. Bonds4

About 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole

5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole (PubChem CID 117175718) has the molecular formula C15H20FNS and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
PubChem CID117175718
Molecular FormulaC15H20FNS
Molecular Weight265.40 g/mol
Exact Mass265.13
IUPAC Name5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
SMILESCC(C)SCc1cn(C(C)C)c2ccc(F)cc12
InChIInChI=1S/C15H20FNS/c1-10(2)17-8-12(9-18-11(3)4)14-7-13(16)5-6-15(14)17/h5-8,10-11H,9H2,1-4H3
InChIKeyFONXVSUWRWLAKN-UHFFFAOYSA-N
XLogP5.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
1-(5-fluoro-1-propan-2-ylindol-3-yl)-2-methylpropan-2-ol
CID 117121037
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103
(Z)-4-(5-fluoro-1-propan-2-ylindol-3-yl)but-2-en-2-amine
CID 145343643
2-(5-fluoro-1-propan-2-ylindol-3-yl)propan-1-ol
CID 117121050
(6-fluoro-1-propan-2-ylindol-3-yl)methanethiol
CID 117179135
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066
6-bromo-3-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117179121
3-(aminomethyl)-1-propan-2-ylindol-5-amine
CID 117175454
ethyl 2-amino-2-(5-fluoro-1-propan-2-ylindol-3-yl)acetate
CID 115073241
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole?
The IUPAC name of 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole (CID 117175718) is 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole.
What is the SMILES notation for 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole?
The canonical SMILES for 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole is CC(C)SCc1cn(C(C)C)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole?
The InChIKey is FONXVSUWRWLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNS/c1-10(2)17-8-12(9-18-11(3)4)14-7-13(16)5-6-15(14)17/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole?
5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole has a molecular weight of 265.40 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole is sourced from PubChem (CID 117175718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).