tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane

C20H26F2OS — CID 145418265

IUPACtert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane
SMILESCCC(F)(F)COS(c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26F2OS/c1-5-20(21,22)16-23-24(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyQEIHAUXFCHQEIU-UHFFFAOYSA-N
MW352.49 g/mol
LogP6.68
Rot. Bonds6

About tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane

tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane (PubChem CID 145418265) has the molecular formula C20H26F2OS and a molecular weight of 352.49 g/mol. Its IUPAC name is tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane
PubChem CID145418265
Molecular FormulaC20H26F2OS
Molecular Weight352.49 g/mol
Exact Mass352.17
IUPAC Nametert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane
SMILESCCC(F)(F)COS(c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H26F2OS/c1-5-20(21,22)16-23-24(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3
InChIKeyQEIHAUXFCHQEIU-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.49
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1,1,1-Trifluoro-2-phenylsulfanylpentan-2-yl)sulfanylbenzene
CID 14938881
Methoxy(diphenyl)sulfanium tetrafluoroborate
CID 88519943
[Methoxy(diphenyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139886940
[Tert-butyl(diphenyl)-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 140030362
[Fluoro(hexoxy)arsoryl]oxy-triphenyl-lambda4-sulfane
CID 141038547
[(2Z,4E,6E)-7-fluoroocta-2,4,6-trien-4-yl]-diphenylsulfanium
CID 142174226
[3-[Tert-butyl(diphenyl)-lambda4-sulfanyl]oxy-2,2-difluoropropyl] trifluoromethanesulfonate
CID 142405390
ethane;[(3E)-hexa-1,3,5-trien-3-yl]-diphenylsulfanium;1,1,1,2,2,3,3,4,4-nonafluoro-4-hydroxysulfanylbutane
CID 144328639
2-[Tert-butyl(diphenyl)-lambda4-sulfanyl]oxyethyl trifluoromethanesulfonate
CID 145012995
ethane;[(2E,4Z)-hexa-2,4-dien-3-yl]-phenyl-[4-(trifluoromethylsulfinyl)phenyl]sulfanium
CID 145553681
Tert-butyl-(3,3-difluoropentyl)-diphenyl-lambda4-sulfane
CID 155032456
2,2-Difluoropropan-1-ol;triphenylsulfanium
CID 157590881

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane?
The IUPAC name of tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane (CID 145418265) is tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane.
What is the SMILES notation for tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane?
The canonical SMILES for tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane is CCC(F)(F)COS(c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane?
The InChIKey is QEIHAUXFCHQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2OS/c1-5-20(21,22)16-23-24(19(2,3)4,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3.
What are the key properties of tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane?
tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane has a molecular weight of 352.49 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-difluorobutoxy)-diphenyl-λ4-sulfane is sourced from PubChem (CID 145418265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).