1,1-difluoroethyl(trimethyl)-λ4-sulfane

C5H12F2S — CID 123825931

IUPAC1,1-difluoroethyl(trimethyl)-λ4-sulfane
SMILESCC(F)(F)S(C)(C)C
InChIInChI=1S/C5H12F2S/c1-5(6,7)8(2,3)4/h1-4H3
InChIKeyHZOGKDORVZEALR-UHFFFAOYSA-N
MW142.21 g/mol
LogP2.29
Rot. Bonds1

About 1,1-difluoroethyl(trimethyl)-λ4-sulfane

1,1-difluoroethyl(trimethyl)-λ4-sulfane (PubChem CID 123825931) has the molecular formula C5H12F2S and a molecular weight of 142.21 g/mol. Its IUPAC name is 1,1-difluoroethyl(trimethyl)-λ4-sulfane.

Molecular Properties

Compound Name1,1-difluoroethyl(trimethyl)-λ4-sulfane
PubChem CID123825931
Molecular FormulaC5H12F2S
Molecular Weight142.21 g/mol
Exact Mass142.06
IUPAC Name1,1-difluoroethyl(trimethyl)-λ4-sulfane
SMILESCC(F)(F)S(C)(C)C
InChIInChI=1S/C5H12F2S/c1-5(6,7)8(2,3)4/h1-4H3
InChIKeyHZOGKDORVZEALR-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethyl(trimethyl)-λ4-sulfane?
The IUPAC name of 1,1-difluoroethyl(trimethyl)-λ4-sulfane (CID 123825931) is 1,1-difluoroethyl(trimethyl)-λ4-sulfane.
What is the SMILES notation for 1,1-difluoroethyl(trimethyl)-λ4-sulfane?
The canonical SMILES for 1,1-difluoroethyl(trimethyl)-λ4-sulfane is CC(F)(F)S(C)(C)C.
What is the InChIKey of 1,1-difluoroethyl(trimethyl)-λ4-sulfane?
The InChIKey is HZOGKDORVZEALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2S/c1-5(6,7)8(2,3)4/h1-4H3.
What are the key properties of 1,1-difluoroethyl(trimethyl)-λ4-sulfane?
1,1-difluoroethyl(trimethyl)-λ4-sulfane has a molecular weight of 142.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethyl(trimethyl)-λ4-sulfane is sourced from PubChem (CID 123825931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).