2-fluoro-1,3-dithiane

C4H7FS2 — CID 22967169

IUPAC2-fluoro-1,3-dithiane
SMILESFC1SCCCS1
InChIInChI=1S/C4H7FS2/c5-4-6-2-1-3-7-4/h4H,1-3H2
InChIKeyIMBWVSQIFJOTDR-UHFFFAOYSA-N
MW138.23 g/mol
LogP2.11
Rot. Bonds

About 2-fluoro-1,3-dithiane

2-fluoro-1,3-dithiane (PubChem CID 22967169) has the molecular formula C4H7FS2 and a molecular weight of 138.23 g/mol. Its IUPAC name is 2-fluoro-1,3-dithiane.

Molecular Properties

Compound Name2-fluoro-1,3-dithiane
PubChem CID22967169
Molecular FormulaC4H7FS2
Molecular Weight138.23 g/mol
Exact Mass138.00
IUPAC Name2-fluoro-1,3-dithiane
SMILESFC1SCCCS1
InChIInChI=1S/C4H7FS2/c5-4-6-2-1-3-7-4/h4H,1-3H2
InChIKeyIMBWVSQIFJOTDR-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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Related Compounds

1,3-Dithiane
CID 10451
1,3-Dithiane-2-thione
CID 137194
Lithium 1,3-dithian-2-ide
CID 10931441
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2,2-Difluoro-1,3-dithiane
CID 12070546
4-Fluoro-1,3-dithiane
CID 139914134
2,2,4,4-Tetrafluoro-1,3-dithiane
CID 151949177
(213C)1,3-dithiane
CID 9964087
CID 59420972
CID 59420972
CID 101597368
CID 101597368
CID 134986504
CID 134986504
2-Deuterio-1,3-dithiane
CID 11274996

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dithiane?
The IUPAC name of 2-fluoro-1,3-dithiane (CID 22967169) is 2-fluoro-1,3-dithiane.
What is the SMILES notation for 2-fluoro-1,3-dithiane?
The canonical SMILES for 2-fluoro-1,3-dithiane is FC1SCCCS1.
What is the InChIKey of 2-fluoro-1,3-dithiane?
The InChIKey is IMBWVSQIFJOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FS2/c5-4-6-2-1-3-7-4/h4H,1-3H2.
What are the key properties of 2-fluoro-1,3-dithiane?
2-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 2-fluoro-1,3-dithiane is sourced from PubChem (CID 22967169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).