2-(2-fluoroethyl)-5-methyl-1,3-dithiane

C7H13FS2 — CID 18344148

IUPAC2-(2-fluoroethyl)-5-methyl-1,3-dithiane
SMILESCC1CSC(CCF)SC1
InChIInChI=1S/C7H13FS2/c1-6-4-9-7(2-3-8)10-5-6/h6-7H,2-5H2,1H3
InChIKeyGJYZUSOUDQUZMS-UHFFFAOYSA-N
MW180.31 g/mol
LogP2.79
Rot. Bonds2

About 2-(2-fluoroethyl)-5-methyl-1,3-dithiane

2-(2-fluoroethyl)-5-methyl-1,3-dithiane (PubChem CID 18344148) has the molecular formula C7H13FS2 and a molecular weight of 180.31 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-5-methyl-1,3-dithiane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-5-methyl-1,3-dithiane
PubChem CID18344148
Molecular FormulaC7H13FS2
Molecular Weight180.31 g/mol
Exact Mass180.04
IUPAC Name2-(2-fluoroethyl)-5-methyl-1,3-dithiane
SMILESCC1CSC(CCF)SC1
InChIInChI=1S/C7H13FS2/c1-6-4-9-7(2-3-8)10-5-6/h6-7H,2-5H2,1H3
InChIKeyGJYZUSOUDQUZMS-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-5-methyl-1,3-dithiane?
The IUPAC name of 2-(2-fluoroethyl)-5-methyl-1,3-dithiane (CID 18344148) is 2-(2-fluoroethyl)-5-methyl-1,3-dithiane.
What is the SMILES notation for 2-(2-fluoroethyl)-5-methyl-1,3-dithiane?
The canonical SMILES for 2-(2-fluoroethyl)-5-methyl-1,3-dithiane is CC1CSC(CCF)SC1.
What is the InChIKey of 2-(2-fluoroethyl)-5-methyl-1,3-dithiane?
The InChIKey is GJYZUSOUDQUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FS2/c1-6-4-9-7(2-3-8)10-5-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-5-methyl-1,3-dithiane?
2-(2-fluoroethyl)-5-methyl-1,3-dithiane has a molecular weight of 180.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-5-methyl-1,3-dithiane is sourced from PubChem (CID 18344148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).