1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene

C11Cl7F3 — CID 10410797

IUPAC1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl
InChIInChI=1S/C11Cl7F3/c12-4-1-2(7(15)10(18)9(17)6(1)14)5(13)8(16)3(4)11(19,20)21
InChIKeyKSQWOWJBDJHZNH-UHFFFAOYSA-N
MW437.29 g/mol
LogP8.43
Rot. Bonds

About 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene

1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene (PubChem CID 10410797) has the molecular formula C11Cl7F3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene
PubChem CID10410797
Molecular FormulaC11Cl7F3
Molecular Weight437.29 g/mol
Exact Mass433.78
IUPAC Name1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl
InChIInChI=1S/C11Cl7F3/c12-4-1-2(7(15)10(18)9(17)6(1)14)5(13)8(16)3(4)11(19,20)21
InChIKeyKSQWOWJBDJHZNH-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.29
LogP ≤ 58.43
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 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene (CID 10410797) is 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene is FC(F)(F)c1c(Cl)c(Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2c1Cl.
What is the InChIKey of 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene?
The InChIKey is KSQWOWJBDJHZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11Cl7F3/c12-4-1-2(7(15)10(18)9(17)6(1)14)5(13)8(16)3(4)11(19,20)21.
What are the key properties of 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene?
1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene has a molecular weight of 437.29 g/mol, XLogP of 8.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptachloro-7-(trifluoromethyl)naphthalene is sourced from PubChem (CID 10410797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).