2,2-difluoro-5-methyl-1,3-dithiane

C5H8F2S2 — CID 59876013

IUPAC2,2-difluoro-5-methyl-1,3-dithiane
SMILESCC1CSC(F)(F)SC1
InChIInChI=1S/C5H8F2S2/c1-4-2-8-5(6,7)9-3-4/h4H,2-3H2,1H3
InChIKeyBDGVQEPRGFQVQX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.65
Rot. Bonds

About 2,2-difluoro-5-methyl-1,3-dithiane

2,2-difluoro-5-methyl-1,3-dithiane (PubChem CID 59876013) has the molecular formula C5H8F2S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-1,3-dithiane.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-1,3-dithiane
PubChem CID59876013
Molecular FormulaC5H8F2S2
Molecular Weight170.25 g/mol
Exact Mass170.00
IUPAC Name2,2-difluoro-5-methyl-1,3-dithiane
SMILESCC1CSC(F)(F)SC1
InChIInChI=1S/C5H8F2S2/c1-4-2-8-5(6,7)9-3-4/h4H,2-3H2,1H3
InChIKeyBDGVQEPRGFQVQX-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-1,3-dithiane
CID 12650466
2-(1,1,1-Trifluoropropan-2-ylidene)-1,3-dithiane
CID 14338619
2-(2,2,2-Trifluoroethyl)-1,3-dithiane
CID 10512309
2,2-Difluoro-1,3-dithiane
CID 12070546
2-(2-Fluoroethyl)-5-methyl-1,3-dithiane
CID 18344148
1,1,1-Trifluoro-2-methyl-3-methylsulfanylpropane
CID 20746378
2-Methyl-1-(trifluoromethylsulfanyl)propane
CID 22015920
2-Methyl-5-(1,1,1-trifluoropropan-2-yl)-1,3-dithiane
CID 53802098
1-(Difluoromethylsulfanyl)-2-methylpropane
CID 59617990
5-(1,1,1-Trifluoropropan-2-yl)-1,3-dithiane
CID 85660277
1,1,3,3-Tetrafluoro-1,3-bis(methylsulfanyl)-2-(methylsulfanylmethyl)propane
CID 135297188
2-(1,1,1-Trifluoropropan-2-yl)-1,3-dithiane
CID 14338620

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-1,3-dithiane?
The IUPAC name of 2,2-difluoro-5-methyl-1,3-dithiane (CID 59876013) is 2,2-difluoro-5-methyl-1,3-dithiane.
What is the SMILES notation for 2,2-difluoro-5-methyl-1,3-dithiane?
The canonical SMILES for 2,2-difluoro-5-methyl-1,3-dithiane is CC1CSC(F)(F)SC1.
What is the InChIKey of 2,2-difluoro-5-methyl-1,3-dithiane?
The InChIKey is BDGVQEPRGFQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S2/c1-4-2-8-5(6,7)9-3-4/h4H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-5-methyl-1,3-dithiane?
2,2-difluoro-5-methyl-1,3-dithiane has a molecular weight of 170.25 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-1,3-dithiane is sourced from PubChem (CID 59876013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).