ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole

C17H16F3N — CID 143223648

IUPACethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESCC.FC(F)(F)c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H10F3N.C2H6/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14;1-2/h1-9,19H;1-2H3
InChIKeyAMGKODUMEQKTMQ-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.88
Rot. Bonds1

About ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole

ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole (PubChem CID 143223648) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole.

Molecular Properties

Compound Nameethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
PubChem CID143223648
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Nameethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
SMILESCC.FC(F)(F)c1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H10F3N.C2H6/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14;1-2/h1-9,19H;1-2H3
InChIKeyAMGKODUMEQKTMQ-UHFFFAOYSA-N
XLogP5.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
CID 126608157
3-[4-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one
CID 22503463
4-(1H-indol-2-yl)phenol
CID 11287260
4-(1H-indol-2-yl)benzenethiol;methanol
CID 160504693
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole
CID 151304935
2-(5-methyl-3-pyridinyl)-1H-indole
CID 147492760
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole?
The IUPAC name of ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole (CID 143223648) is ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole.
What is the SMILES notation for ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole?
The canonical SMILES for ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole is CC.FC(F)(F)c1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole?
The InChIKey is AMGKODUMEQKTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N.C2H6/c16-15(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)19-14;1-2/h1-9,19H;1-2H3.
What are the key properties of ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole?
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole has a molecular weight of 291.32 g/mol, XLogP of 5.88, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole is sourced from PubChem (CID 143223648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).