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

C25H32F4 — CID 139850129

IUPAC1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1
InChIInChI=1S/C25H32F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h12-20H,2-11H2,1H3
InChIKeyDTLUOSPUFPWDES-UHFFFAOYSA-N
MW408.52 g/mol
LogP8.32
Rot. Bonds4

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

1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (PubChem CID 139850129) has the molecular formula C25H32F4 and a molecular weight of 408.52 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
PubChem CID139850129
Molecular FormulaC25H32F4
Molecular Weight408.52 g/mol
Exact Mass408.24
IUPAC Name1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3ccc4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1
InChIInChI=1S/C25H32F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h12-20H,2-11H2,1H3
InChIKeyDTLUOSPUFPWDES-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 58.32
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

1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850159
6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene
CID 139850270
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-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
pentafluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-λ6-sulfane
CID 54147756
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
5-(4-butylcyclohexyl)-7b-fluoro-1a-(3,4,5-trifluorophenyl)naphtho[1,2-b]oxirene
CID 139850100
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The IUPAC name of 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (CID 139850129) is 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The canonical SMILES for 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is CCCC1CCC(C2CCC(c3ccc4c(c3)C=CC(F)(F)C4(F)F)CC2)CC1.
What is the InChIKey of 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The InChIKey is DTLUOSPUFPWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h12-20H,2-11H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene has a molecular weight of 408.52 g/mol, XLogP of 8.32, 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-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139850129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).