4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol

C17H16FNOS — CID 103501668

IUPAC4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1ccsc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C17H16FNOS/c18-15-5-4-13-6-8-19(16(13)11-15)12-17-14(7-10-21-17)3-1-2-9-20/h4-5,7,10-11,20H,2,6,8-9,12H2
InChIKeyCSEXGSGHHDWWNA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.18
Rot. Bonds3

About 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol

4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol (PubChem CID 103501668) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
PubChem CID103501668
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1ccsc1CN1CCc2ccc(F)cc21
InChIInChI=1S/C17H16FNOS/c18-15-5-4-13-6-8-19(16(13)11-15)12-17-14(7-10-21-17)3-1-2-9-20/h4-5,7,10-11,20H,2,6,8-9,12H2
InChIKeyCSEXGSGHHDWWNA-UHFFFAOYSA-N
XLogP3.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophene-2-carbohydrazide
CID 103503781
1-[[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 62941734
4-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62778177
4-[2-(1,4-oxazepan-4-ylmethyl)thiophen-3-yl]but-3-yn-1-ol
CID 62974013
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 62994665
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587
5-fluoro-2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]benzoic acid
CID 103503739
4-[2-[(3,4-dimethylpiperazin-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 63634507
4-[2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107228623
4-[2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81475295
1-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]piperidin-2-one
CID 54922933
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol (CID 103501668) is 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol is OCCC#Cc1ccsc1CN1CCc2ccc(F)cc21.
What is the InChIKey of 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is CSEXGSGHHDWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-15-5-4-13-6-8-19(16(13)11-15)12-17-14(7-10-21-17)3-1-2-9-20/h4-5,7,10-11,20H,2,6,8-9,12H2.
What are the key properties of 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol?
4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 103501668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).