ethane;5-fluoro-1H-indole;molecular hydrogen

C10H14FN — CID 144540127

IUPACethane;5-fluoro-1H-indole;molecular hydrogen
SMILESCC.Fc1ccc2[nH]ccc2c1.[H][H]
InChIInChI=1S/C8H6FN.C2H6.H2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2;/h1-5,10H;1-2H3;1H
InChIKeyNCBVCGLJZVTEDJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.58
Rot. Bonds

About ethane;5-fluoro-1H-indole;molecular hydrogen

ethane;5-fluoro-1H-indole;molecular hydrogen (PubChem CID 144540127) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is ethane;5-fluoro-1H-indole;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-fluoro-1H-indole;molecular hydrogen
PubChem CID144540127
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Nameethane;5-fluoro-1H-indole;molecular hydrogen
SMILESCC.Fc1ccc2[nH]ccc2c1.[H][H]
InChIInChI=1S/C8H6FN.C2H6.H2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2;/h1-5,10H;1-2H3;1H
InChIKeyNCBVCGLJZVTEDJ-UHFFFAOYSA-N
XLogP3.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-fluoro-1H-indole;molecular fluorine
CID 123133815
1-bromopropane;5-fluoro-1H-indole
CID 175237737
ethanamine;5-fluoro-1H-indole
CID 175177872
5-(2,4-difluorophenyl)-1H-indole
CID 10176960
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
(4-fluoro-2-methylphenyl)-(1H-indol-5-yl)methanol
CID 81445082
4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole
CID 163967307
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
5-fluoro-1H-indole;pyridine;quinoline
CID 174896082
CID 58930948
CID 58930948
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
CID 142618850

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-1H-indole;molecular hydrogen?
The IUPAC name of ethane;5-fluoro-1H-indole;molecular hydrogen (CID 144540127) is ethane;5-fluoro-1H-indole;molecular hydrogen.
What is the SMILES notation for ethane;5-fluoro-1H-indole;molecular hydrogen?
The canonical SMILES for ethane;5-fluoro-1H-indole;molecular hydrogen is CC.Fc1ccc2[nH]ccc2c1.[H][H].
What is the InChIKey of ethane;5-fluoro-1H-indole;molecular hydrogen?
The InChIKey is NCBVCGLJZVTEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN.C2H6.H2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2;/h1-5,10H;1-2H3;1H.
What are the key properties of ethane;5-fluoro-1H-indole;molecular hydrogen?
ethane;5-fluoro-1H-indole;molecular hydrogen has a molecular weight of 167.23 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-1H-indole;molecular hydrogen is sourced from PubChem (CID 144540127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).