pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane

C23H27F5S — CID 25197320

IUPACpentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
SMILESCCCC1CCC(c2ccc(/C=C/c3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F5S/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)29(24,25,26,27)28/h4-5,8-11,14-18,21H,2-3,6-7,12-13H2,1H3/b5-4+
InChIKeyWNRQWHHIYZPDOR-SNAWJCMRSA-N
MW430.53 g/mol
LogP9.59
Rot. Bonds6

About pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane

pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane (PubChem CID 25197320) has the molecular formula C23H27F5S and a molecular weight of 430.53 g/mol. Its IUPAC name is pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
PubChem CID25197320
Molecular FormulaC23H27F5S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC Namepentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane
SMILESCCCC1CCC(c2ccc(/C=C/c3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F5S/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)29(24,25,26,27)28/h4-5,8-11,14-18,21H,2-3,6-7,12-13H2,1H3/b5-4+
InChIKeyWNRQWHHIYZPDOR-SNAWJCMRSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-chloro-4-[(E)-2-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethenyl]benzene
CID 67590386
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
pentafluoro-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54316605
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535
1-[(Z)-1,2-difluoro-2-[4-[(E)-pent-1-enyl]phenyl]ethenyl]-4-(4-propylcyclohexyl)benzene
CID 67699851
5-(4-ethylcyclohexyl)-2-[(Z)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]pyridine
CID 92971949
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane (CID 25197320) is pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane is CCCC1CCC(c2ccc(/C=C/c3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane?
The InChIKey is WNRQWHHIYZPDOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H27F5S/c1-2-3-18-6-12-21(13-7-18)22-14-8-19(9-15-22)4-5-20-10-16-23(17-11-20)29(24,25,26,27)28/h4-5,8-11,14-18,21H,2-3,6-7,12-13H2,1H3/b5-4+.
What are the key properties of pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane?
pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane has a molecular weight of 430.53 g/mol, XLogP of 9.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-[(E)-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]phenyl]-λ6-sulfane is sourced from PubChem (CID 25197320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).