2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene

C19H18F4 — CID 58840072

IUPAC2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene
SMILES[2H]C1([2H])Cc2c(ccc(-c3cc(F)c(F)c(F)c3)c2F)C([2H])([2H])C1CCC
InChIInChI=1S/C19H18F4/c1-2-3-11-4-6-14-12(8-11)5-7-15(18(14)22)13-9-16(20)19(23)17(21)10-13/h5,7,9-11H,2-4,6,8H2,1H3/i4D2,8D2
InChIKeyGOYKGBBRZPFDLD-ZDAGDFTFSA-N
MW326.37 g/mol
LogP5.82
Rot. Bonds3

About 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene

2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene (PubChem CID 58840072) has the molecular formula C19H18F4 and a molecular weight of 326.37 g/mol. Its IUPAC name is 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene.

Molecular Properties

Compound Name2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene
PubChem CID58840072
Molecular FormulaC19H18F4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene
SMILES[2H]C1([2H])Cc2c(ccc(-c3cc(F)c(F)c(F)c3)c2F)C([2H])([2H])C1CCC
InChIInChI=1S/C19H18F4/c1-2-3-11-4-6-14-12(8-11)5-7-15(18(14)22)13-9-16(20)19(23)17(21)10-13/h5,7,9-11H,2-4,6,8H2,1H3/i4D2,8D2
InChIKeyGOYKGBBRZPFDLD-ZDAGDFTFSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene with MolForge

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Related Compounds

5-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961058
2-(4-ethylcyclohexyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840084
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
2-butyl-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852102
2-[4-(4-ethoxybutyl)cyclohexyl]-5-fluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839903
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyl-1,3-dioxane
CID 54250531
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-(4-butylcyclohexyl)-6-(3,4-difluorophenyl)-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852117
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58839855

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene?
The IUPAC name of 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene (CID 58840072) is 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene.
What is the SMILES notation for 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene?
The canonical SMILES for 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene is [2H]C1([2H])Cc2c(ccc(-c3cc(F)c(F)c(F)c3)c2F)C([2H])([2H])C1CCC.
What is the InChIKey of 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene?
The InChIKey is GOYKGBBRZPFDLD-ZDAGDFTFSA-N. The full InChI is InChI=1S/C19H18F4/c1-2-3-11-4-6-14-12(8-11)5-7-15(18(14)22)13-9-16(20)19(23)17(21)10-13/h5,7,9-11H,2-4,6,8H2,1H3/i4D2,8D2.
What are the key properties of 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene?
2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene has a molecular weight of 326.37 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetradeuterio-8-fluoro-3-propyl-7-(3,4,5-trifluorophenyl)-1,3-dihydronaphthalene is sourced from PubChem (CID 58840072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).