2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole

C8H8FNS — CID 141295795

IUPAC2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole
SMILESFCC1Nc2ccccc2S1
InChIInChI=1S/C8H8FNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,8,10H,5H2
InChIKeyVSZKZGJRIOJEML-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.50
Rot. Bonds1

About 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole

2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 141295795) has the molecular formula C8H8FNS and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID141295795
Molecular FormulaC8H8FNS
Molecular Weight169.22 g/mol
Exact Mass169.04
IUPAC Name2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole
SMILESFCC1Nc2ccccc2S1
InChIInChI=1S/C8H8FNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,8,10H,5H2
InChIKeyVSZKZGJRIOJEML-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-Dihydrobenzo[d]thiazole-2-thiol
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1-(3-Methyl-3H-benzothiazol-2-ylidene)-propane-2-thione
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3,4-Dihydro-2H-benzo[b][1,4]thiazine hydrochloride
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2,3,4,5-Tetrahydro-1,5-benzothiazepine
CID 93963
3-Prop-2-enyl-1,3-benzothiazole-2-thione
CID 332007
2,2-Pentamethylenebenzothiazoline
CID 352218
N-(thiophen-2-ylmethyl)aniline
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2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)
CID 3034709

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole (CID 141295795) is 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole is FCC1Nc2ccccc2S1.
What is the InChIKey of 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is VSZKZGJRIOJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,8,10H,5H2.
What are the key properties of 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole?
2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 169.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 141295795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).