(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride

C10H10ClF3N2 — CID 171248192

IUPAC(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2.ClH/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7;/h1-5,9,15H,14H2;1H/t9-;/m0./s1
InChIKeyQGEMGOHTHDXGSM-FVGYRXGTSA-N
MW250.65 g/mol
LogP3.15
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride

(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride (PubChem CID 171248192) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
PubChem CID171248192
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
SMILESCl.N[C@@H](c1ccc2cc[nH]c2c1)C(F)(F)F
InChIInChI=1S/C10H9F3N2.ClH/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7;/h1-5,9,15H,14H2;1H/t9-;/m0./s1
InChIKeyQGEMGOHTHDXGSM-FVGYRXGTSA-N
XLogP3.15
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171312375
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
ethyl (3R)-3-amino-2,2-difluoro-3-(1H-indol-6-yl)propanoate;hydrochloride
CID 171241471
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
trimethyl-[2,2,2-trifluoro-1-(1H-indol-6-yl)ethoxy]silane
CID 59468735
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
6-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]-1H-indole;dihydrochloride
CID 171303683

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride (CID 171248192) is (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride is Cl.N[C@@H](c1ccc2cc[nH]c2c1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride?
The InChIKey is QGEMGOHTHDXGSM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H9F3N2.ClH/c11-10(12,13)9(14)7-2-1-6-3-4-15-8(6)5-7;/h1-5,9,15H,14H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride?
(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride has a molecular weight of 250.65 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171248192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).