1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene

C25H31F5 — CID 139850159

IUPAC1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3cc(F)c4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1
InChIInChI=1S/C25H31F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-14-20-12-13-24(27,28)25(29,30)23(20)22(26)15-21/h12-19H,2-11H2,1H3
InChIKeyVLSWJCOGYWIEMD-UHFFFAOYSA-N
MW426.51 g/mol
LogP8.46
Rot. Bonds4

About 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene

1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (PubChem CID 139850159) has the molecular formula C25H31F5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
PubChem CID139850159
Molecular FormulaC25H31F5
Molecular Weight426.51 g/mol
Exact Mass426.23
IUPAC Name1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3cc(F)c4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1
InChIInChI=1S/C25H31F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-14-20-12-13-24(27,28)25(29,30)23(20)22(26)15-21/h12-19H,2-11H2,1H3
InChIKeyVLSWJCOGYWIEMD-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850129
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene
CID 121476355
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The IUPAC name of 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (CID 139850159) is 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The canonical SMILES for 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is CCCC1CCC(C2CCC(c3cc(F)c4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1.
What is the InChIKey of 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The InChIKey is VLSWJCOGYWIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F5/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)21-14-20-12-13-24(27,28)25(29,30)23(20)22(26)15-21/h12-19H,2-11H2,1H3.
What are the key properties of 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene has a molecular weight of 426.51 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139850159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).