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

C12H12ClF5N2 — CID 171312424

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C12H11F5N2.ClH/c1-6-9(7-4-2-3-5-8(7)19-6)10(18)11(13,14)12(15,16)17;/h2-5,10,19H,18H2,1H3;1H/t10-;/m1./s1
InChIKeyXBFOHYSTWXULLI-HNCPQSOCSA-N
MW314.69 g/mol
LogP4.10
Rot. Bonds2

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

(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171312424) has the molecular formula C12H12ClF5N2 and a molecular weight of 314.69 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
PubChem CID171312424
Molecular FormulaC12H12ClF5N2
Molecular Weight314.69 g/mol
Exact Mass314.06
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C12H11F5N2.ClH/c1-6-9(7-4-2-3-5-8(7)19-6)10(18)11(13,14)12(15,16)17;/h2-5,10,19H,18H2,1H3;1H/t10-;/m1./s1
InChIKeyXBFOHYSTWXULLI-HNCPQSOCSA-N
XLogP4.10
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride with MolForge

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Related Compounds

(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 131384165
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride (CID 171312424) is (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is Cc1[nH]c2ccccc2c1[C@@H](N)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is XBFOHYSTWXULLI-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H11F5N2.ClH/c1-6-9(7-4-2-3-5-8(7)19-6)10(18)11(13,14)12(15,16)17;/h2-5,10,19H,18H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 314.69 g/mol, XLogP of 4.10, 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-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).