1-ethylsulfanyl-2,2-difluoropentane

C7H14F2S — CID 90763643

IUPAC1-ethylsulfanyl-2,2-difluoropentane
SMILESCCCC(F)(F)CSCC
InChIInChI=1S/C7H14F2S/c1-3-5-7(8,9)6-10-4-2/h3-6H2,1-2H3
InChIKeyMRYXEYVGFPDOIN-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.17
Rot. Bonds5

About 1-ethylsulfanyl-2,2-difluoropentane

1-ethylsulfanyl-2,2-difluoropentane (PubChem CID 90763643) has the molecular formula C7H14F2S and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-ethylsulfanyl-2,2-difluoropentane.

Molecular Properties

Compound Name1-ethylsulfanyl-2,2-difluoropentane
PubChem CID90763643
Molecular FormulaC7H14F2S
Molecular Weight168.25 g/mol
Exact Mass168.08
IUPAC Name1-ethylsulfanyl-2,2-difluoropentane
SMILESCCCC(F)(F)CSCC
InChIInChI=1S/C7H14F2S/c1-3-5-7(8,9)6-10-4-2/h3-6H2,1-2H3
InChIKeyMRYXEYVGFPDOIN-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2,2-difluoropentane?
The IUPAC name of 1-ethylsulfanyl-2,2-difluoropentane (CID 90763643) is 1-ethylsulfanyl-2,2-difluoropentane.
What is the SMILES notation for 1-ethylsulfanyl-2,2-difluoropentane?
The canonical SMILES for 1-ethylsulfanyl-2,2-difluoropentane is CCCC(F)(F)CSCC.
What is the InChIKey of 1-ethylsulfanyl-2,2-difluoropentane?
The InChIKey is MRYXEYVGFPDOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2S/c1-3-5-7(8,9)6-10-4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-2,2-difluoropentane?
1-ethylsulfanyl-2,2-difluoropentane has a molecular weight of 168.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2,2-difluoropentane is sourced from PubChem (CID 90763643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).