4-fluoro-1,3-dithiane

C4H7FS2 — CID 139914134

IUPAC4-fluoro-1,3-dithiane
SMILESFC1CCSCS1
InChIInChI=1S/C4H7FS2/c5-4-1-2-6-3-7-4/h4H,1-3H2
InChIKeyPWLDXUBWQFXPFS-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.11
Rot. Bonds

About 4-fluoro-1,3-dithiane

4-fluoro-1,3-dithiane (PubChem CID 139914134) has the molecular formula C4H7FS2 and a molecular weight of 138.23 g/mol. Its IUPAC name is 4-fluoro-1,3-dithiane.

Molecular Properties

Compound Name4-fluoro-1,3-dithiane
PubChem CID139914134
Molecular FormulaC4H7FS2
Molecular Weight138.23 g/mol
Exact Mass138.00
IUPAC Name4-fluoro-1,3-dithiane
SMILESFC1CCSCS1
InChIInChI=1S/C4H7FS2/c5-4-1-2-6-3-7-4/h4H,1-3H2
InChIKeyPWLDXUBWQFXPFS-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dithiane?
The IUPAC name of 4-fluoro-1,3-dithiane (CID 139914134) is 4-fluoro-1,3-dithiane.
What is the SMILES notation for 4-fluoro-1,3-dithiane?
The canonical SMILES for 4-fluoro-1,3-dithiane is FC1CCSCS1.
What is the InChIKey of 4-fluoro-1,3-dithiane?
The InChIKey is PWLDXUBWQFXPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FS2/c5-4-1-2-6-3-7-4/h4H,1-3H2.
What are the key properties of 4-fluoro-1,3-dithiane?
4-fluoro-1,3-dithiane has a molecular weight of 138.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dithiane is sourced from PubChem (CID 139914134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).