1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene

C20H15F5 — CID 173254682

IUPAC1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene
SMILESCCc1c(CCc2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12
InChIInChI=1S/C20H15F5/c1-2-13-12(8-7-11-5-3-4-6-14(11)13)9-10-15-16(21)18(23)20(25)19(24)17(15)22/h3-8H,2,9-10H2,1H3
InChIKeyTWTHZLLBJGVCJA-UHFFFAOYSA-N
MW350.33 g/mol
LogP5.88
Rot. Bonds4

About 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene

1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene (PubChem CID 173254682) has the molecular formula C20H15F5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene.

Molecular Properties

Compound Name1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene
PubChem CID173254682
Molecular FormulaC20H15F5
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene
SMILESCCc1c(CCc2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12
InChIInChI=1S/C20H15F5/c1-2-13-12(8-7-11-5-3-4-6-14(11)13)9-10-15-16(21)18(23)20(25)19(24)17(15)22/h3-8H,2,9-10H2,1H3
InChIKeyTWTHZLLBJGVCJA-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.33
LogP ≤ 55.88
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-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene?
The IUPAC name of 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene (CID 173254682) is 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene.
What is the SMILES notation for 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene?
The canonical SMILES for 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene is CCc1c(CCc2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12.
What is the InChIKey of 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene?
The InChIKey is TWTHZLLBJGVCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5/c1-2-13-12(8-7-11-5-3-4-6-14(11)13)9-10-15-16(21)18(23)20(25)19(24)17(15)22/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene?
1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene has a molecular weight of 350.33 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]naphthalene is sourced from PubChem (CID 173254682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).