2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene

C10Cl2F10 — CID 12521070

IUPAC2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Cl)C(F)(Cl)C2(F)F
InChIInChI=1S/C10Cl2F10/c11-9(21)7(17,18)1-2(8(19,20)10(9,12)22)4(14)6(16)5(15)3(1)13
InChIKeyPDGQGLIPQKUUKQ-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.25
Rot. Bonds

About 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene

2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene (PubChem CID 12521070) has the molecular formula C10Cl2F10 and a molecular weight of 381.00 g/mol. Its IUPAC name is 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene.

Molecular Properties

Compound Name2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene
PubChem CID12521070
Molecular FormulaC10Cl2F10
Molecular Weight381.00 g/mol
Exact Mass379.92
IUPAC Name2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Cl)C(F)(Cl)C2(F)F
InChIInChI=1S/C10Cl2F10/c11-9(21)7(17,18)1-2(8(19,20)10(9,12)22)4(14)6(16)5(15)3(1)13
InChIKeyPDGQGLIPQKUUKQ-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene?
The IUPAC name of 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene (CID 12521070) is 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene.
What is the SMILES notation for 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene?
The canonical SMILES for 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(Cl)C(F)(Cl)C2(F)F.
What is the InChIKey of 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene?
The InChIKey is PDGQGLIPQKUUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10Cl2F10/c11-9(21)7(17,18)1-2(8(19,20)10(9,12)22)4(14)6(16)5(15)3(1)13.
What are the key properties of 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene?
2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene has a molecular weight of 381.00 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1,2,3,4,4,5,6,7,8-decafluoronaphthalene is sourced from PubChem (CID 12521070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).