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

C16H7F5 — CID 87625967

IUPAC1-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1c(F)c(F)c(-c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C16H7F5/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeySQWJNXBGCPMDGJ-UHFFFAOYSA-N
MW294.22 g/mol
LogP5.20
Rot. Bonds1

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

1-(2,3,4,5,6-pentafluorophenyl)naphthalene (PubChem CID 87625967) has the molecular formula C16H7F5 and a molecular weight of 294.22 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)naphthalene.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)naphthalene
PubChem CID87625967
Molecular FormulaC16H7F5
Molecular Weight294.22 g/mol
Exact Mass294.05
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)naphthalene
SMILESFc1c(F)c(F)c(-c2cccc3ccccc23)c(F)c1F
InChIInChI=1S/C16H7F5/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeySQWJNXBGCPMDGJ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.22
LogP ≤ 55.20
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-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)naphthalene (CID 87625967) is 1-(2,3,4,5,6-pentafluorophenyl)naphthalene.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)naphthalene is Fc1c(F)c(F)c(-c2cccc3ccccc23)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)naphthalene?
The InChIKey is SQWJNXBGCPMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F5/c17-12-11(13(18)15(20)16(21)14(12)19)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)naphthalene?
1-(2,3,4,5,6-pentafluorophenyl)naphthalene has a molecular weight of 294.22 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)naphthalene is sourced from PubChem (CID 87625967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).