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

C11H11F3N2O — CID 51922084

IUPAC(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
SMILESNC[C@@](O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17,6-15)8-5-16-9-4-2-1-3-7(8)9/h1-5,16-17H,6,15H2/t10-/m1/s1
InChIKeyADKNARNQNHGXIL-SNVBAGLBSA-N
MW244.22 g/mol
LogP1.88
Rot. Bonds2

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

(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol (PubChem CID 51922084) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
PubChem CID51922084
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
SMILESNC[C@@](O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(17,6-15)8-5-16-9-4-2-1-3-7(8)9/h1-5,16-17H,6,15H2/t10-/m1/s1
InChIKeyADKNARNQNHGXIL-SNVBAGLBSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
2-(1H-indol-3-yl)-2-phenylpropan-1-amine
CID 102100966
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 41037811
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol (CID 51922084) is (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol is NC[C@@](O)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol?
The InChIKey is ADKNARNQNHGXIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(17,6-15)8-5-16-9-4-2-1-3-7(8)9/h1-5,16-17H,6,15H2/t10-/m1/s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol?
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol has a molecular weight of 244.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol is sourced from PubChem (CID 51922084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).