2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

C54H84F4 — CID 158295310

IUPAC2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C28H44F2.C26H40F2/c1-3-5-6-8-25-19-20-26(28(30)27(25)29)18-13-22-11-16-24(17-12-22)23-14-9-21(7-4-2)10-15-23;1-3-5-19-7-12-21(13-8-19)22-14-9-20(10-15-22)11-16-24-18-17-23(6-4-2)25(27)26(24)28/h19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3
InChIKeyGLVLRKJAHIWYJK-UHFFFAOYSA-N
MW809.26 g/mol
LogP17.31
Rot. Bonds18

About 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene

2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 158295310) has the molecular formula C54H84F4 and a molecular weight of 809.26 g/mol. Its IUPAC name is 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID158295310
Molecular FormulaC54H84F4
Molecular Weight809.26 g/mol
Exact Mass808.65
IUPAC Name2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C28H44F2.C26H40F2/c1-3-5-6-8-25-19-20-26(28(30)27(25)29)18-13-22-11-16-24(17-12-22)23-14-9-21(7-4-2)10-15-23;1-3-5-19-7-12-21(13-8-19)22-14-9-20(10-15-22)11-16-24-18-17-23(6-4-2)25(27)26(24)28/h19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3
InChIKeyGLVLRKJAHIWYJK-UHFFFAOYSA-N
XLogP17.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.26
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene with MolForge

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Related Compounds

1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
2,3-difluoro-1-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-propylbenzene
CID 157321336
1-fluoro-2-pentyl-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861477
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 67896108
1,2-difluoro-7-pentyl-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863451
1-[(4-ethylcyclohexyl)methoxy]-2,3-difluoro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 67895712
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-butoxy-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-butoxy-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene;2,3-difluoro-1-pentyl-4-[2-(4-propylcyclohexyl)ethyl]benzene;2,3-difluoro-1-propyl-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-ethoxy-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene;1-ethoxy-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-methoxybenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-pentylbenzene;1-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluoro-4-propylbenzene;1-ethyl-4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorobenzene
CID 157481333
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-[2-[4-(2-fluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propylbenzene
CID 58141062

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene (CID 158295310) is 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is CCCCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.CCCc1ccc(CCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is GLVLRKJAHIWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44F2.C26H40F2/c1-3-5-6-8-25-19-20-26(28(30)27(25)29)18-13-22-11-16-24(17-12-22)23-14-9-21(7-4-2)10-15-23;1-3-5-19-7-12-21(13-8-19)22-14-9-20(10-15-22)11-16-24-18-17-23(6-4-2)25(27)26(24)28/h19-24H,3-18H2,1-2H3;17-22H,3-16H2,1-2H3.
What are the key properties of 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene?
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 809.26 g/mol, XLogP of 17.31, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 158295310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).