(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride

C12H12ClF5N2 — CID 171312426

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(F)(F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H11F5N2.ClH/c1-19-6-8(7-4-2-3-5-9(7)19)10(18)11(13,14)12(15,16)17;/h2-6,10H,18H2,1H3;1H/t10-;/m1./s1
InChIKeyQUWKOKLEHZGOOW-HNCPQSOCSA-N
MW314.69 g/mol
LogP3.80
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride (PubChem CID 171312426) 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-(1-methylindol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
PubChem CID171312426
Molecular FormulaC12H12ClF5N2
Molecular Weight314.69 g/mol
Exact Mass314.06
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
SMILESCl.Cn1cc([C@@H](N)C(F)(F)C(F)(F)F)c2ccccc21
InChIInChI=1S/C12H11F5N2.ClH/c1-19-6-8(7-4-2-3-5-9(7)19)10(18)11(13,14)12(15,16)17;/h2-6,10H,18H2,1H3;1H/t10-;/m1./s1
InChIKeyQUWKOKLEHZGOOW-HNCPQSOCSA-N
XLogP3.80
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
(3R)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol;hydrochloride
CID 171241945
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
(3S)-3-amino-2,2-dimethyl-3-(1-methylindol-3-yl)propan-1-ol
CID 171248669
1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171311782
(1R)-1-(1-methylindol-3-yl)but-3-en-1-amine;hydrochloride
CID 171206886
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride (CID 171312426) is (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride is Cl.Cn1cc([C@@H](N)C(F)(F)C(F)(F)F)c2ccccc21.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is QUWKOKLEHZGOOW-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H11F5N2.ClH/c1-19-6-8(7-4-2-3-5-9(7)19)10(18)11(13,14)12(15,16)17;/h2-6,10H,18H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 314.69 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).