pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane

C23H35F5S — CID 54316605

IUPACpentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
SMILESCCCCCC1CCC(C2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C23H35F5S/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)29(24,25,26,27)28/h14-21H,2-13H2,1H3
InChIKeySOQDHASEKAJCPW-UHFFFAOYSA-N
MW438.59 g/mol
LogP10.00
Rot. Bonds7

About pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane

pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane (PubChem CID 54316605) has the molecular formula C23H35F5S and a molecular weight of 438.59 g/mol. Its IUPAC name is pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
PubChem CID54316605
Molecular FormulaC23H35F5S
Molecular Weight438.59 g/mol
Exact Mass438.24
IUPAC Namepentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
SMILESCCCCCC1CCC(C2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C23H35F5S/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)29(24,25,26,27)28/h14-21H,2-13H2,1H3
InChIKeySOQDHASEKAJCPW-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
pentafluoro-[4-[[4-(4-octylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523413
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
CID 25197320
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane (CID 54316605) is pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane is CCCCCC1CCC(C2CCC(c3ccc(S(F)(F)(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane?
The InChIKey is SOQDHASEKAJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F5S/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(17-15-22)29(24,25,26,27)28/h14-21H,2-13H2,1H3.
What are the key properties of pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane?
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane has a molecular weight of 438.59 g/mol, XLogP of 10.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane is sourced from PubChem (CID 54316605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).