ethane;4,5,6,7-tetrafluoro-1H-indole

C10H9F4N — CID 142246490

IUPACethane;4,5,6,7-tetrafluoro-1H-indole
SMILESCC.Fc1c(F)c(F)c2[nH]ccc2c1F
InChIInChI=1S/C8H3F4N.C2H6/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10;1-2/h1-2,13H;1-2H3
InChIKeyYAHUTDSPEDDFPF-UHFFFAOYSA-N
MW219.18 g/mol
LogP3.75
Rot. Bonds

About ethane;4,5,6,7-tetrafluoro-1H-indole

ethane;4,5,6,7-tetrafluoro-1H-indole (PubChem CID 142246490) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is ethane;4,5,6,7-tetrafluoro-1H-indole.

Molecular Properties

Compound Nameethane;4,5,6,7-tetrafluoro-1H-indole
PubChem CID142246490
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Nameethane;4,5,6,7-tetrafluoro-1H-indole
SMILESCC.Fc1c(F)c(F)c2[nH]ccc2c1F
InChIInChI=1S/C8H3F4N.C2H6/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10;1-2/h1-2,13H;1-2H3
InChIKeyYAHUTDSPEDDFPF-UHFFFAOYSA-N
XLogP3.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-tetrafluoro-1H-indole;4,5,6,7-tetrafluoro-2-methyl-1H-indole
CID 158329465
6,7-difluoro-N,4-dimethyl-1H-indol-5-amine;ethane
CID 171076946
7-bromo-4-fluoro-5-methyl-1H-indole
CID 69347122
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
6-fluoro-4,7-dimethyl-1H-indole
CID 170176297
2-fluoro-5-[(4,6,7-trifluoro-1H-indol-5-yl)oxy]benzonitrile
CID 167505529
(7-fluoro-1H-indol-4-yl)boronic acid
CID 119085742
2-(4,5-difluoro-1H-indol-7-yl)ethanol
CID 55266249
4-bromo-5-fluoro-7-methyl-1H-indole
CID 74888584
1-(4-fluoro-1H-indol-7-yl)ethanone
CID 18519733
4,6-difluoro-5,7-bis(phenylmethoxy)-1H-indole
CID 14811705
ethane;5-fluoro-4-methyl-1H-indole
CID 142062842

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6,7-tetrafluoro-1H-indole?
The IUPAC name of ethane;4,5,6,7-tetrafluoro-1H-indole (CID 142246490) is ethane;4,5,6,7-tetrafluoro-1H-indole.
What is the SMILES notation for ethane;4,5,6,7-tetrafluoro-1H-indole?
The canonical SMILES for ethane;4,5,6,7-tetrafluoro-1H-indole is CC.Fc1c(F)c(F)c2[nH]ccc2c1F.
What is the InChIKey of ethane;4,5,6,7-tetrafluoro-1H-indole?
The InChIKey is YAHUTDSPEDDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4N.C2H6/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10;1-2/h1-2,13H;1-2H3.
What are the key properties of ethane;4,5,6,7-tetrafluoro-1H-indole?
ethane;4,5,6,7-tetrafluoro-1H-indole has a molecular weight of 219.18 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6,7-tetrafluoro-1H-indole is sourced from PubChem (CID 142246490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).