ethane;3-ethyl-7-(trifluoromethyl)-1H-indole

C13H16F3N — CID 177016084

IUPACethane;3-ethyl-7-(trifluoromethyl)-1H-indole
SMILESCC.CCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H10F3N.C2H6/c1-2-7-6-15-10-8(7)4-3-5-9(10)11(12,13)14;1-2/h3-6,15H,2H2,1H3;1-2H3
InChIKeyNGPVPENGWYLFBK-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.78
Rot. Bonds1

About ethane;3-ethyl-7-(trifluoromethyl)-1H-indole

ethane;3-ethyl-7-(trifluoromethyl)-1H-indole (PubChem CID 177016084) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is ethane;3-ethyl-7-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Nameethane;3-ethyl-7-(trifluoromethyl)-1H-indole
PubChem CID177016084
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Nameethane;3-ethyl-7-(trifluoromethyl)-1H-indole
SMILESCC.CCc1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H10F3N.C2H6/c1-2-7-6-15-10-8(7)4-3-5-9(10)11(12,13)14;1-2/h3-6,15H,2H2,1H3;1-2H3
InChIKeyNGPVPENGWYLFBK-UHFFFAOYSA-N
XLogP4.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
CID 117197300
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
[(1S)-1-carboxy-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethyl]azanium;2,2,2-trifluoroacetate
CID 164775571
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468
3-ethyl-6,7-difluoro-1H-indole
CID 130050075
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-[7-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451418
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 166376123
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-7-(trifluoromethyl)-1H-indole?
The IUPAC name of ethane;3-ethyl-7-(trifluoromethyl)-1H-indole (CID 177016084) is ethane;3-ethyl-7-(trifluoromethyl)-1H-indole.
What is the SMILES notation for ethane;3-ethyl-7-(trifluoromethyl)-1H-indole?
The canonical SMILES for ethane;3-ethyl-7-(trifluoromethyl)-1H-indole is CC.CCc1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of ethane;3-ethyl-7-(trifluoromethyl)-1H-indole?
The InChIKey is NGPVPENGWYLFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N.C2H6/c1-2-7-6-15-10-8(7)4-3-5-9(10)11(12,13)14;1-2/h3-6,15H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-7-(trifluoromethyl)-1H-indole?
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole has a molecular weight of 243.27 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-7-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 177016084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).