(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol

C11H11F3N2O — CID 171262562

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
SMILESN[C@H](c1cccc2[nH]ccc12)[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17)9(15)7-2-1-3-8-6(7)4-5-16-8/h1-5,9-10,16-17H,15H2/t9-,10-/m1/s1
InChIKeyLYTSHWCUILMINZ-NXEZZACHSA-N
MW244.22 g/mol
LogP2.09
Rot. Bonds2

About (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol

(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol (PubChem CID 171262562) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
PubChem CID171262562
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
SMILESN[C@H](c1cccc2[nH]ccc12)[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17)9(15)7-2-1-3-8-6(7)4-5-16-8/h1-5,9-10,16-17H,15H2/t9-,10-/m1/s1
InChIKeyLYTSHWCUILMINZ-NXEZZACHSA-N
XLogP2.09
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
(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
1H-indol-4-yl-[2-(trifluoromethyl)phenyl]methanol
CID 115351825

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol (CID 171262562) is (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol is N[C@H](c1cccc2[nH]ccc12)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol?
The InChIKey is LYTSHWCUILMINZ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(17)9(15)7-2-1-3-8-6(7)4-5-16-8/h1-5,9-10,16-17H,15H2/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol?
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol has a molecular weight of 244.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol is sourced from PubChem (CID 171262562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).