ethane;3-fluoro-1,5-dimethylindole;propane

C15H24FN — CID 176703204

IUPACethane;3-fluoro-1,5-dimethylindole;propane
SMILESCC.CCC.Cc1ccc2c(c1)c(F)cn2C
InChIInChI=1S/C10H10FN.C3H8.C2H6/c1-7-3-4-10-8(5-7)9(11)6-12(10)2;1-3-2;1-2/h3-6H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUGHCWQBYGAORPN-UHFFFAOYSA-N
MW237.36 g/mol
LogP5.07
Rot. Bonds

About ethane;3-fluoro-1,5-dimethylindole;propane

ethane;3-fluoro-1,5-dimethylindole;propane (PubChem CID 176703204) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is ethane;3-fluoro-1,5-dimethylindole;propane.

Molecular Properties

Compound Nameethane;3-fluoro-1,5-dimethylindole;propane
PubChem CID176703204
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Nameethane;3-fluoro-1,5-dimethylindole;propane
SMILESCC.CCC.Cc1ccc2c(c1)c(F)cn2C
InChIInChI=1S/C10H10FN.C3H8.C2H6/c1-7-3-4-10-8(5-7)9(11)6-12(10)2;1-3-2;1-2/h3-6H,1-2H3;3H2,1-2H3;1-2H3
InChIKeyUGHCWQBYGAORPN-UHFFFAOYSA-N
XLogP5.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.36
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
3-(1,5-dimethylindol-3-yl)sulfanyl-1,5-dimethylindole
CID 138983603
1,5-dimethylindole-3-carbaldehyde
CID 1419073
(1,5-dimethylindol-3-yl)-trimethylsilane
CID 177415171
3-(2-isocyanoethyl)-1,5-dimethylindole
CID 83485144
ethyl 2-(1,5-dimethylindol-3-yl)acetate
CID 84740898
1,5-dimethylindole-3-carboxamide
CID 119084556
3-dimethylphosphoryl-1,5-dimethylindole
CID 170792902
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
1,6-dimethylquinolin-4-one;ethane
CID 144950018
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-1,5-dimethylindole;propane?
The IUPAC name of ethane;3-fluoro-1,5-dimethylindole;propane (CID 176703204) is ethane;3-fluoro-1,5-dimethylindole;propane.
What is the SMILES notation for ethane;3-fluoro-1,5-dimethylindole;propane?
The canonical SMILES for ethane;3-fluoro-1,5-dimethylindole;propane is CC.CCC.Cc1ccc2c(c1)c(F)cn2C.
What is the InChIKey of ethane;3-fluoro-1,5-dimethylindole;propane?
The InChIKey is UGHCWQBYGAORPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN.C3H8.C2H6/c1-7-3-4-10-8(5-7)9(11)6-12(10)2;1-3-2;1-2/h3-6H,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-1,5-dimethylindole;propane?
ethane;3-fluoro-1,5-dimethylindole;propane has a molecular weight of 237.36 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-1,5-dimethylindole;propane is sourced from PubChem (CID 176703204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).