1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene

C18H12F4 — CID 141400649

IUPAC1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene
SMILESCC(c1cc(F)c(F)c(F)c1F)c1cccc2ccccc12
InChIInChI=1S/C18H12F4/c1-10(14-9-15(19)17(21)18(22)16(14)20)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3
InChIKeyOHDPSOMHQBUSCC-UHFFFAOYSA-N
MW304.29 g/mol
LogP5.55
Rot. Bonds2

About 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene

1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene (PubChem CID 141400649) has the molecular formula C18H12F4 and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene
PubChem CID141400649
Molecular FormulaC18H12F4
Molecular Weight304.29 g/mol
Exact Mass304.09
IUPAC Name1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene
SMILESCC(c1cc(F)c(F)c(F)c1F)c1cccc2ccccc12
InChIInChI=1S/C18H12F4/c1-10(14-9-15(19)17(21)18(22)16(14)20)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3
InChIKeyOHDPSOMHQBUSCC-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.29
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene (CID 141400649) is 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene is CC(c1cc(F)c(F)c(F)c1F)c1cccc2ccccc12.
What is the InChIKey of 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene?
The InChIKey is OHDPSOMHQBUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4/c1-10(14-9-15(19)17(21)18(22)16(14)20)12-8-4-6-11-5-2-3-7-13(11)12/h2-10H,1H3.
What are the key properties of 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene?
1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene has a molecular weight of 304.29 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,4,5-tetrafluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 141400649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).