4-fluoro-2,3-dihydro-1H-indene-1-thiol

C9H9FS — CID 83070034

IUPAC4-fluoro-2,3-dihydro-1H-indene-1-thiol
SMILESFc1cccc2c1CCC2S
InChIInChI=1S/C9H9FS/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChIKeyVBWKOUPIBXWPEK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.74
Rot. Bonds

About 4-fluoro-2,3-dihydro-1H-indene-1-thiol

4-fluoro-2,3-dihydro-1H-indene-1-thiol (PubChem CID 83070034) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1H-indene-1-thiol.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1H-indene-1-thiol
PubChem CID83070034
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name4-fluoro-2,3-dihydro-1H-indene-1-thiol
SMILESFc1cccc2c1CCC2S
InChIInChI=1S/C9H9FS/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2
InChIKeyVBWKOUPIBXWPEK-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-1-thiol?
The IUPAC name of 4-fluoro-2,3-dihydro-1H-indene-1-thiol (CID 83070034) is 4-fluoro-2,3-dihydro-1H-indene-1-thiol.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1H-indene-1-thiol?
The canonical SMILES for 4-fluoro-2,3-dihydro-1H-indene-1-thiol is Fc1cccc2c1CCC2S.
What is the InChIKey of 4-fluoro-2,3-dihydro-1H-indene-1-thiol?
The InChIKey is VBWKOUPIBXWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FS/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9,11H,4-5H2.
What are the key properties of 4-fluoro-2,3-dihydro-1H-indene-1-thiol?
4-fluoro-2,3-dihydro-1H-indene-1-thiol has a molecular weight of 168.24 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1H-indene-1-thiol is sourced from PubChem (CID 83070034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).