4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol

C12H16FNS — CID 103504365

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
SMILESFc1ccc2c(c1)N(CCCCS)CC2
InChIInChI=1S/C12H16FNS/c13-11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2
InChIKeyJYDKFMGOXZEJJY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.90
Rot. Bonds4

About 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol

4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol (PubChem CID 103504365) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
PubChem CID103504365
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
SMILESFc1ccc2c(c1)N(CCCCS)CC2
InChIInChI=1S/C12H16FNS/c13-11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2
InChIKeyJYDKFMGOXZEJJY-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-one
CID 106801628
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-(6-fluoro-2,3-dihydroindol-1-yl)butanehydrazide
CID 103503791
4-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 103495865
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 103503185
2-[3-(6-fluoro-2,3-dihydroindol-1-yl)propyl]aniline
CID 107274633
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 103503977
3-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpropanamide
CID 130269379
N-ethyl-6-(6-fluoro-2,3-dihydroindol-1-yl)hexan-3-amine
CID 106800163
5-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 103501869

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol (CID 103504365) is 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol is Fc1ccc2c(c1)N(CCCCS)CC2.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol?
The InChIKey is JYDKFMGOXZEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-4-3-10-5-7-14(12(10)9-11)6-1-2-8-15/h3-4,9,15H,1-2,5-8H2.
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol?
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol has a molecular weight of 225.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol is sourced from PubChem (CID 103504365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).