2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine

C12H12F4N2 — CID 62564083

IUPAC2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
SMILESFc1ccc2ccn(CCNCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F4N2/c13-10-2-1-9-3-5-18(11(9)7-10)6-4-17-8-12(14,15)16/h1-3,5,7,17H,4,6,8H2
InChIKeySLAFNSSFYHDLDY-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.93
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine (PubChem CID 62564083) has the molecular formula C12H12F4N2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
PubChem CID62564083
Molecular FormulaC12H12F4N2
Molecular Weight260.23 g/mol
Exact Mass260.09
IUPAC Name2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine
SMILESFc1ccc2ccn(CCNCC(F)(F)F)c2c1
InChIInChI=1S/C12H12F4N2/c13-10-2-1-9-3-5-18(11(9)7-10)6-4-17-8-12(14,15)16/h1-3,5,7,17H,4,6,8H2
InChIKeySLAFNSSFYHDLDY-UHFFFAOYSA-N
XLogP2.93
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-indol-1-ylethyl)ethanamine
CID 62564217
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
4-chloro-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505975
3-(6-fluoroindol-1-yl)propanal
CID 63040201
2-bromo-N-[2-(6-fluoroindol-1-yl)ethyl]aniline
CID 63505809
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
2-(6-fluoroindol-1-yl)acetaldehyde
CID 62025779
6-fluoro-1-nonylindole
CID 116619867
cobalt;1-ethyl-6-fluoroindole
CID 58657570
6-fluoro-1-pent-4-ynylindole
CID 116620040
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022
1-(3,3,3-trifluoropropyl)indole-6-carbaldehyde
CID 102911175

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine (CID 62564083) is 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine is Fc1ccc2ccn(CCNCC(F)(F)F)c2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine?
The InChIKey is SLAFNSSFYHDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2/c13-10-2-1-9-3-5-18(11(9)7-10)6-4-17-8-12(14,15)16/h1-3,5,7,17H,4,6,8H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine has a molecular weight of 260.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 62564083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).