(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine

C14H12FNS — CID 135040560

IUPAC(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc([C@@H]2CSc3ccccc3N2)cc1
InChIInChI=1S/C14H12FNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1
InChIKeyMUJIPJXXXWCCTG-ZDUSSCGKSA-N
MW245.32 g/mol
LogP4.08
Rot. Bonds1

About (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine

(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 135040560) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID135040560
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC Name(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESFc1ccc([C@@H]2CSc3ccccc3N2)cc1
InChIInChI=1S/C14H12FNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1
InChIKeyMUJIPJXXXWCCTG-ZDUSSCGKSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 135040560) is (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine is Fc1ccc([C@@H]2CSc3ccccc3N2)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is MUJIPJXXXWCCTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H12FNS/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-8,13,16H,9H2/t13-/m0/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine?
(3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 245.32 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 135040560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).