1-ethylsulfanyl-1,1-difluoropentane

C7H14F2S — CID 90738921

IUPAC1-ethylsulfanyl-1,1-difluoropentane
SMILESCCCCC(F)(F)SCC
InChIInChI=1S/C7H14F2S/c1-3-5-6-7(8,9)10-4-2/h3-6H2,1-2H3
InChIKeyYSBPLGHGRCQDHZ-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.52
Rot. Bonds5

About 1-ethylsulfanyl-1,1-difluoropentane

1-ethylsulfanyl-1,1-difluoropentane (PubChem CID 90738921) has the molecular formula C7H14F2S and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-ethylsulfanyl-1,1-difluoropentane.

Molecular Properties

Compound Name1-ethylsulfanyl-1,1-difluoropentane
PubChem CID90738921
Molecular FormulaC7H14F2S
Molecular Weight168.25 g/mol
Exact Mass168.08
IUPAC Name1-ethylsulfanyl-1,1-difluoropentane
SMILESCCCCC(F)(F)SCC
InChIInChI=1S/C7H14F2S/c1-3-5-6-7(8,9)10-4-2/h3-6H2,1-2H3
InChIKeyYSBPLGHGRCQDHZ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyl)propane
CID 87128471
4,4,4-Trifluorobutyl methyl sulfide
CID 89333965
Butane, 1-[(trifluoromethyl)thio]-
CID 544786
Hexyl(trifluoromethyl) sulfide
CID 21730948
Propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
CID 4737272
Butyl trifluorodithioacetate
CID 4739340
2,2,2',2'-Tetrafluorodipropyl sulfide
CID 129670314
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
1-[(2,2,3,3-Tetrafluoropropyl)thio]pentane
CID 2259847
Ethyl-1,1,2,3,3,3-hexafluoropropylsulfide
CID 533752
Kvmixdskqrmypo-uhfffaoysa-
CID 13101897
Wtdvlbzomoclls-uhfffaoysa-
CID 13101898

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1,1-difluoropentane?
The IUPAC name of 1-ethylsulfanyl-1,1-difluoropentane (CID 90738921) is 1-ethylsulfanyl-1,1-difluoropentane.
What is the SMILES notation for 1-ethylsulfanyl-1,1-difluoropentane?
The canonical SMILES for 1-ethylsulfanyl-1,1-difluoropentane is CCCCC(F)(F)SCC.
What is the InChIKey of 1-ethylsulfanyl-1,1-difluoropentane?
The InChIKey is YSBPLGHGRCQDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2S/c1-3-5-6-7(8,9)10-4-2/h3-6H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-1,1-difluoropentane?
1-ethylsulfanyl-1,1-difluoropentane has a molecular weight of 168.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1,1-difluoropentane is sourced from PubChem (CID 90738921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).