3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol

C11H14FNOS — CID 84625319

IUPAC3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
SMILESOCCCC1CSc2cccc(F)c2N1
InChIInChI=1S/C11H14FNOS/c12-9-4-1-5-10-11(9)13-8(7-15-10)3-2-6-14/h1,4-5,8,13-14H,2-3,6-7H2
InChIKeyCHBZTDPUOOTJEN-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.48
Rot. Bonds3

About 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol

3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol (PubChem CID 84625319) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
PubChem CID84625319
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
SMILESOCCCC1CSc2cccc(F)c2N1
InChIInChI=1S/C11H14FNOS/c12-9-4-1-5-10-11(9)13-8(7-15-10)3-2-6-14/h1,4-5,8,13-14H,2-3,6-7H2
InChIKeyCHBZTDPUOOTJEN-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84628958
2-(5-tert-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84634436
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
3-(5,7-dimethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84628954
N-methyl-3-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628505
3-(7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol
CID 84634423
(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84637559
3-(5-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propanenitrile
CID 84643174
2-(5-chloro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)-N-methylethanamine
CID 84630665
N-methyl-1-(5-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)methanamine
CID 84621166
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
CID 84630120
3-(4-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzothiazin-3-yl)propan-1-ol
CID 84640010

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol (CID 84625319) is 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol is OCCCC1CSc2cccc(F)c2N1.
What is the InChIKey of 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol?
The InChIKey is CHBZTDPUOOTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-9-4-1-5-10-11(9)13-8(7-15-10)3-2-6-14/h1,4-5,8,13-14H,2-3,6-7H2.
What are the key properties of 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol?
3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-ol is sourced from PubChem (CID 84625319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).