1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene

C16H5F7 — CID 91341325

IUPAC1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
SMILESFc1cccc(-c2c(F)c(F)c(F)c3c(F)c(F)ccc23)c1F
InChIInChI=1S/C16H5F7/c17-8-3-1-2-7(12(8)19)10-6-4-5-9(18)13(20)11(6)15(22)16(23)14(10)21/h1-5H
InChIKeyRHAVVUYKRRIXBO-UHFFFAOYSA-N
MW330.20 g/mol
LogP5.48
Rot. Bonds1

About 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene

1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene (PubChem CID 91341325) has the molecular formula C16H5F7 and a molecular weight of 330.20 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
PubChem CID91341325
Molecular FormulaC16H5F7
Molecular Weight330.20 g/mol
Exact Mass330.03
IUPAC Name1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
SMILESFc1cccc(-c2c(F)c(F)c(F)c3c(F)c(F)ccc23)c1F
InChIInChI=1S/C16H5F7/c17-8-3-1-2-7(12(8)19)10-6-4-5-9(18)13(20)11(6)15(22)16(23)14(10)21/h1-5H
InChIKeyRHAVVUYKRRIXBO-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.20
LogP ≤ 55.48
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene?
The IUPAC name of 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene (CID 91341325) is 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene?
The canonical SMILES for 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene is Fc1cccc(-c2c(F)c(F)c(F)c3c(F)c(F)ccc23)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene?
The InChIKey is RHAVVUYKRRIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5F7/c17-8-3-1-2-7(12(8)19)10-6-4-5-9(18)13(20)11(6)15(22)16(23)14(10)21/h1-5H.
What are the key properties of 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene?
1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene has a molecular weight of 330.20 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene is sourced from PubChem (CID 91341325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).