7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole

C10H7BrF3N — CID 175467087

IUPAC7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
SMILESFC(F)C(F)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H7BrF3N/c11-7-3-1-2-5-6(4-15-9(5)7)8(12)10(13)14/h1-4,8,10,15H
InChIKeyHKWQRRHXFBZDKA-UHFFFAOYSA-N
MW278.07 g/mol
LogP4.21
Rot. Bonds2

About 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole

7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole (PubChem CID 175467087) has the molecular formula C10H7BrF3N and a molecular weight of 278.07 g/mol. Its IUPAC name is 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
PubChem CID175467087
Molecular FormulaC10H7BrF3N
Molecular Weight278.07 g/mol
Exact Mass276.97
IUPAC Name7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
SMILESFC(F)C(F)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C10H7BrF3N/c11-7-3-1-2-5-6(4-15-9(5)7)8(12)10(13)14/h1-4,8,10,15H
InChIKeyHKWQRRHXFBZDKA-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

7-bromo-3-propan-2-yl-1H-indole
CID 106985591
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
7-bromo-3-tert-butyl-1H-indole
CID 106985255
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
7-bromo-1H-indole-3-carbothioamide
CID 171775732
8-bromo-3-methyl-1H-quinolin-4-one;ethane
CID 144929790
7-bromo-3-(4-methylcyclohexyl)-1H-indole
CID 106985061
2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
CID 118449886
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole?
The IUPAC name of 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole (CID 175467087) is 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole.
What is the SMILES notation for 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole?
The canonical SMILES for 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole is FC(F)C(F)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole?
The InChIKey is HKWQRRHXFBZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N/c11-7-3-1-2-5-6(4-15-9(5)7)8(12)10(13)14/h1-4,8,10,15H.
What are the key properties of 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole?
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole has a molecular weight of 278.07 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole is sourced from PubChem (CID 175467087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).