6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene

C25H23F5 — CID 139846563

IUPAC6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
SMILESCCCc1cc(F)c(C2CCC(c3ccc4c(F)c(F)c(F)cc4c3)CC2)c(F)c1
InChIInChI=1S/C25H23F5/c1-2-3-14-10-20(26)23(21(27)11-14)16-6-4-15(5-7-16)17-8-9-19-18(12-17)13-22(28)25(30)24(19)29/h8-13,15-16H,2-7H2,1H3
InChIKeyMSKBTNGEQXFOFZ-UHFFFAOYSA-N
MW418.45 g/mol
LogP7.93
Rot. Bonds4

About 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene

6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene (PubChem CID 139846563) has the molecular formula C25H23F5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
PubChem CID139846563
Molecular FormulaC25H23F5
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
SMILESCCCc1cc(F)c(C2CCC(c3ccc4c(F)c(F)c(F)cc4c3)CC2)c(F)c1
InChIInChI=1S/C25H23F5/c1-2-3-14-10-20(26)23(21(27)11-14)16-6-4-15(5-7-16)17-8-9-19-18(12-17)13-22(28)25(30)24(19)29/h8-13,15-16H,2-7H2,1H3
InChIKeyMSKBTNGEQXFOFZ-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
1,2,3-trifluoro-6-[4-(4-methylphenyl)cyclohexyl]naphthalene
CID 139846546
6-[4-(4-but-3-enylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139847295
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
1,2,3-trifluoro-6-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]naphthalene
CID 139867617
6-[6-(4-ethylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3-trifluoronaphthalene
CID 139868353
2-cyclopropyl-5-ethyl-1,3-difluorobenzene
CID 171097226
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
6-[2-[4-(4-butylcyclohexyl)-2-fluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139859513

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene (CID 139846563) is 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene is CCCc1cc(F)c(C2CCC(c3ccc4c(F)c(F)c(F)cc4c3)CC2)c(F)c1.
What is the InChIKey of 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene?
The InChIKey is MSKBTNGEQXFOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5/c1-2-3-14-10-20(26)23(21(27)11-14)16-6-4-15(5-7-16)17-8-9-19-18(12-17)13-22(28)25(30)24(19)29/h8-13,15-16H,2-7H2,1H3.
What are the key properties of 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene?
6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene has a molecular weight of 418.45 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 139846563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).