(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine

C10H9F3N2 — CID 42553559

IUPAC(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
SMILESN[C@H](c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,15H,14H2/t9-/m1/s1
InChIKeyTZQBOSKCYLEGAX-SECBINFHSA-N
MW214.19 g/mol
LogP2.73
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine (PubChem CID 42553559) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
PubChem CID42553559
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
SMILESN[C@H](c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,15H,14H2/t9-/m1/s1
InChIKeyTZQBOSKCYLEGAX-SECBINFHSA-N
XLogP2.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
CID 171245512
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
3-propan-2-yl-1H-indole
CID 12534824
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
5-bromo-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78321201
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
ethane;1,1,1-trifluoro-3-(1H-indol-3-yl)propan-2-amine
CID 143255366

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine (CID 42553559) is (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine is N[C@H](c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine?
The InChIKey is TZQBOSKCYLEGAX-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5,9,15H,14H2/t9-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine has a molecular weight of 214.19 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 42553559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).