(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine

C11H11F3N2 — CID 131385428

IUPAC(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C11H11F3N2/c12-11(13,14)6-9(15)7-2-1-3-10-8(7)4-5-16-10/h1-5,9,16H,6,15H2/t9-/m1/s1
InChIKeyDISMLYWAJHAOFZ-SECBINFHSA-N
MW228.22 g/mol
LogP3.12
Rot. Bonds2

About (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine

(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine (PubChem CID 131385428) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
PubChem CID131385428
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1cccc2[nH]ccc12
InChIInChI=1S/C11H11F3N2/c12-11(13,14)6-9(15)7-2-1-3-10-8(7)4-5-16-10/h1-5,9,16H,6,15H2/t9-/m1/s1
InChIKeyDISMLYWAJHAOFZ-SECBINFHSA-N
XLogP3.12
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(3R)-3-amino-3-(1H-indol-4-yl)-2,2-dimethylpropan-1-ol
CID 131399130
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine (CID 131385428) is (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine is N[C@H](CC(F)(F)F)c1cccc2[nH]ccc12.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine?
The InChIKey is DISMLYWAJHAOFZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)6-9(15)7-2-1-3-10-8(7)4-5-16-10/h1-5,9,16H,6,15H2/t9-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine?
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine has a molecular weight of 228.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine is sourced from PubChem (CID 131385428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).