(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride

C11H10ClF5N2 — CID 171312375

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc2cc[nH]c2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5N2.ClH/c12-10(13,11(14,15)16)9(17)7-2-1-6-3-4-18-8(6)5-7;/h1-5,9,18H,17H2;1H/t9-;/m1./s1
InChIKeyQAMDDKGLPXQRQC-SBSPUUFOSA-N
MW300.66 g/mol
LogP3.79
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride (PubChem CID 171312375) has the molecular formula C11H10ClF5N2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
PubChem CID171312375
Molecular FormulaC11H10ClF5N2
Molecular Weight300.66 g/mol
Exact Mass300.05
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1ccc2cc[nH]c2c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5N2.ClH/c12-10(13,11(14,15)16)9(17)7-2-1-6-3-4-18-8(6)5-7;/h1-5,9,18H,17H2;1H/t9-;/m1./s1
InChIKeyQAMDDKGLPXQRQC-SBSPUUFOSA-N
XLogP3.79
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine;hydrochloride
CID 171248192
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965
(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
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 171312213
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-2,2,3,3,3-pentafluoro-1-naphthalen-2-ylpropan-1-amine
CID 171311499
(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
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride (CID 171312375) is (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride is Cl.N[C@H](c1ccc2cc[nH]c2c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
The InChIKey is QAMDDKGLPXQRQC-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H9F5N2.ClH/c12-10(13,11(14,15)16)9(17)7-2-1-6-3-4-18-8(6)5-7;/h1-5,9,18H,17H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride has a molecular weight of 300.66 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).