4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine

C10H18FNS — CID 130626687

IUPAC4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
SMILESFCCN1CCSC2CCCCC21
InChIInChI=1S/C10H18FNS/c11-5-6-12-7-8-13-10-4-2-1-3-9(10)12/h9-10H,1-8H2
InChIKeyHSFKLQXHHYIYFB-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.32
Rot. Bonds2

About 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine

4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine (PubChem CID 130626687) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
PubChem CID130626687
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine
SMILESFCCN1CCSC2CCCCC21
InChIInChI=1S/C10H18FNS/c11-5-6-12-7-8-13-10-4-2-1-3-9(10)12/h9-10H,1-8H2
InChIKeyHSFKLQXHHYIYFB-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine?
The IUPAC name of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine (CID 130626687) is 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine.
What is the SMILES notation for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine?
The canonical SMILES for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine is FCCN1CCSC2CCCCC21.
What is the InChIKey of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine?
The InChIKey is HSFKLQXHHYIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c11-5-6-12-7-8-13-10-4-2-1-3-9(10)12/h9-10H,1-8H2.
What are the key properties of 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine?
4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine has a molecular weight of 203.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazine is sourced from PubChem (CID 130626687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).