2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol

C14H19F3N2OS — CID 88984552

IUPAC2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol
SMILESCCSCC(C)(O)C1Cc2cc(N)c(C(F)(F)F)cc2N1
InChIInChI=1S/C14H19F3N2OS/c1-3-21-7-13(2,20)12-5-8-4-10(18)9(14(15,16)17)6-11(8)19-12/h4,6,12,19-20H,3,5,7,18H2,1-2H3
InChIKeyWUEASSNMDMFBHB-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.13
Rot. Bonds4

About 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol

2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol (PubChem CID 88984552) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol
PubChem CID88984552
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol
SMILESCCSCC(C)(O)C1Cc2cc(N)c(C(F)(F)F)cc2N1
InChIInChI=1S/C14H19F3N2OS/c1-3-21-7-13(2,20)12-5-8-4-10(18)9(14(15,16)17)6-11(8)19-12/h4,6,12,19-20H,3,5,7,18H2,1-2H3
InChIKeyWUEASSNMDMFBHB-UHFFFAOYSA-N
XLogP3.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol?
The IUPAC name of 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol (CID 88984552) is 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol.
What is the SMILES notation for 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol?
The canonical SMILES for 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol is CCSCC(C)(O)C1Cc2cc(N)c(C(F)(F)F)cc2N1.
What is the InChIKey of 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol?
The InChIKey is WUEASSNMDMFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-3-21-7-13(2,20)12-5-8-4-10(18)9(14(15,16)17)6-11(8)19-12/h4,6,12,19-20H,3,5,7,18H2,1-2H3.
What are the key properties of 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol?
2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol has a molecular weight of 320.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]-1-ethylsulfanylpropan-2-ol is sourced from PubChem (CID 88984552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).