pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane

C22H27F5OS — CID 88523486

IUPACpentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
SMILESCCCC1CCC(c2ccc(COc3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H27F5OS/c1-2-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-28-21-12-14-22(15-13-21)29(23,24,25,26)27/h6-7,10-15,17,19H,2-5,8-9,16H2,1H3
InChIKeyVEDLOUNLGAXSGX-UHFFFAOYSA-N
MW434.51 g/mol
LogP9.00
Rot. Bonds7

About pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane

pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane (PubChem CID 88523486) has the molecular formula C22H27F5OS and a molecular weight of 434.51 g/mol. Its IUPAC name is pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
PubChem CID88523486
Molecular FormulaC22H27F5OS
Molecular Weight434.51 g/mol
Exact Mass434.17
IUPAC Namepentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
SMILESCCCC1CCC(c2ccc(COc3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H27F5OS/c1-2-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-28-21-12-14-22(15-13-21)29(23,24,25,26)27/h6-7,10-15,17,19H,2-5,8-9,16H2,1H3
InChIKeyVEDLOUNLGAXSGX-UHFFFAOYSA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane with MolForge

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Related Compounds

pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
1-butoxy-4-[[4-(4-pentylcyclohexyl)phenyl]methoxy]benzene
CID 54111085
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
pentakis(4-[[4-(4-butylcyclohexyl)phenyl]methoxy]benzenethiol);pentahydrofluoride
CID 173376017
2,3-difluoro-1-propyl-4-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]benzene
CID 154607212
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 67779004
4-[[4-(4-butylcyclohexyl)phenoxy]methyl]-1,2-difluorobenzene
CID 67799683

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane (CID 88523486) is pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane is CCCC1CCC(c2ccc(COc3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane?
The InChIKey is VEDLOUNLGAXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F5OS/c1-2-3-17-4-8-19(9-5-17)20-10-6-18(7-11-20)16-28-21-12-14-22(15-13-21)29(23,24,25,26)27/h6-7,10-15,17,19H,2-5,8-9,16H2,1H3.
What are the key properties of pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane?
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane has a molecular weight of 434.51 g/mol, XLogP of 9.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane is sourced from PubChem (CID 88523486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).