1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol

C14H17F4NOS — CID 71163259

IUPAC1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol
SMILESCCSCC(C)(O)C1Cc2cc(F)c(C(F)(F)F)cc2N1
InChIInChI=1S/C14H17F4NOS/c1-3-21-7-13(2,20)12-5-8-4-10(15)9(14(16,17)18)6-11(8)19-12/h4,6,12,19-20H,3,5,7H2,1-2H3
InChIKeySPHLXEGOTZMGQZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.69
Rot. Bonds4

About 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol

1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol (PubChem CID 71163259) has the molecular formula C14H17F4NOS and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol
PubChem CID71163259
Molecular FormulaC14H17F4NOS
Molecular Weight323.36 g/mol
Exact Mass323.10
IUPAC Name1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol
SMILESCCSCC(C)(O)C1Cc2cc(F)c(C(F)(F)F)cc2N1
InChIInChI=1S/C14H17F4NOS/c1-3-21-7-13(2,20)12-5-8-4-10(15)9(14(16,17)18)6-11(8)19-12/h4,6,12,19-20H,3,5,7H2,1-2H3
InChIKeySPHLXEGOTZMGQZ-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol (CID 71163259) is 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol is CCSCC(C)(O)C1Cc2cc(F)c(C(F)(F)F)cc2N1.
What is the InChIKey of 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol?
The InChIKey is SPHLXEGOTZMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NOS/c1-3-21-7-13(2,20)12-5-8-4-10(15)9(14(16,17)18)6-11(8)19-12/h4,6,12,19-20H,3,5,7H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol?
1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-[5-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-yl]propan-2-ol is sourced from PubChem (CID 71163259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).