butyl(trifluoro)-λ4-sulfane

C4H9F3S — CID 174136410

IUPACbutyl(trifluoro)-λ4-sulfane
SMILESCCCCS(F)(F)F
InChIInChI=1S/C4H9F3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyWFOTULIQZVNDNT-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.24
Rot. Bonds3

About butyl(trifluoro)-λ4-sulfane

butyl(trifluoro)-λ4-sulfane (PubChem CID 174136410) has the molecular formula C4H9F3S and a molecular weight of 146.18 g/mol. Its IUPAC name is butyl(trifluoro)-λ4-sulfane.

Molecular Properties

Compound Namebutyl(trifluoro)-λ4-sulfane
PubChem CID174136410
Molecular FormulaC4H9F3S
Molecular Weight146.18 g/mol
Exact Mass146.04
IUPAC Namebutyl(trifluoro)-λ4-sulfane
SMILESCCCCS(F)(F)F
InChIInChI=1S/C4H9F3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
InChIKeyWFOTULIQZVNDNT-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

n-Butyl sulfonium fluoride
CID 118977569
Trifluoro(propyl)-lambda4-sulfane
CID 14694016
Pentafluoro(pentyl)-lambda6-sulfane
CID 87183785
Pentyl thiohypofluorite
CID 87665741
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
CID 89409968
CID 89409968
Chloro-tetrafluoro-pentyl-lambda6-sulfane
CID 90100937
Butyl-fluoro-sulfanylidene-lambda4-sulfane
CID 90277188
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Tetrafluoro-methyl-propan-2-yl-lambda6-sulfane
CID 124164848
Difluoro-methyl-propyl-lambda4-sulfane
CID 134267814
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764

Frequently Asked Questions

What is the IUPAC name of butyl(trifluoro)-λ4-sulfane?
The IUPAC name of butyl(trifluoro)-λ4-sulfane (CID 174136410) is butyl(trifluoro)-λ4-sulfane.
What is the SMILES notation for butyl(trifluoro)-λ4-sulfane?
The canonical SMILES for butyl(trifluoro)-λ4-sulfane is CCCCS(F)(F)F.
What is the InChIKey of butyl(trifluoro)-λ4-sulfane?
The InChIKey is WFOTULIQZVNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3.
What are the key properties of butyl(trifluoro)-λ4-sulfane?
butyl(trifluoro)-λ4-sulfane has a molecular weight of 146.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trifluoro)-λ4-sulfane is sourced from PubChem (CID 174136410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).