2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole

C14H18FNS — CID 117184308

IUPAC2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
SMILESCCSCc1cc2cccc(F)c2n1C(C)C
InChIInChI=1S/C14H18FNS/c1-4-17-9-12-8-11-6-5-7-13(15)14(11)16(12)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyMCXAIEYPUJZVPG-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.61
Rot. Bonds4

About 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole

2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole (PubChem CID 117184308) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
PubChem CID117184308
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
SMILESCCSCc1cc2cccc(F)c2n1C(C)C
InChIInChI=1S/C14H18FNS/c1-4-17-9-12-8-11-6-5-7-13(15)14(11)16(12)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyMCXAIEYPUJZVPG-UHFFFAOYSA-N
XLogP4.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
CID 117186618
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184085
7-chloro-2-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117184313
1-(7-fluoro-1-propan-2-ylindol-2-yl)ethanamine
CID 83860159
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
7-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117184323
2-(ethylsulfanylmethyl)-4-fluoro-1-methylindole
CID 117173469
3-(ethylsulfanylmethyl)-7-fluoro-1-methylindole
CID 117182069
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole?
The IUPAC name of 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole (CID 117184308) is 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole?
The canonical SMILES for 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole is CCSCc1cc2cccc(F)c2n1C(C)C.
What is the InChIKey of 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole?
The InChIKey is MCXAIEYPUJZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c1-4-17-9-12-8-11-6-5-7-13(15)14(11)16(12)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole?
2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole has a molecular weight of 251.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole is sourced from PubChem (CID 117184308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).