1,2,3,4,5,6,7-heptafluoroacenaphthylene

C12HF7 — CID 23234814

IUPAC1,2,3,4,5,6,7-heptafluoroacenaphthylene
SMILESFC1=C(F)c2c(F)c(F)c(F)c3c(F)c(F)cc1c23
InChIInChI=1S/C12HF7/c13-3-1-2-4-5(8(3)15)10(17)12(19)11(18)6(4)9(16)7(2)14/h1H
InChIKeyWSPRBJFRNFFATC-UHFFFAOYSA-N
MW278.13 g/mol
LogP4.61
Rot. Bonds

About 1,2,3,4,5,6,7-heptafluoroacenaphthylene

1,2,3,4,5,6,7-heptafluoroacenaphthylene (PubChem CID 23234814) has the molecular formula C12HF7 and a molecular weight of 278.13 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptafluoroacenaphthylene.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptafluoroacenaphthylene
PubChem CID23234814
Molecular FormulaC12HF7
Molecular Weight278.13 g/mol
Exact Mass278.00
IUPAC Name1,2,3,4,5,6,7-heptafluoroacenaphthylene
SMILESFC1=C(F)c2c(F)c(F)c(F)c3c(F)c(F)cc1c23
InChIInChI=1S/C12HF7/c13-3-1-2-4-5(8(3)15)10(17)12(19)11(18)6(4)9(16)7(2)14/h1H
InChIKeyWSPRBJFRNFFATC-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 54.61
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 1,2,3,4,5,6,7-heptafluoroacenaphthylene?
The IUPAC name of 1,2,3,4,5,6,7-heptafluoroacenaphthylene (CID 23234814) is 1,2,3,4,5,6,7-heptafluoroacenaphthylene.
What is the SMILES notation for 1,2,3,4,5,6,7-heptafluoroacenaphthylene?
The canonical SMILES for 1,2,3,4,5,6,7-heptafluoroacenaphthylene is FC1=C(F)c2c(F)c(F)c(F)c3c(F)c(F)cc1c23.
What is the InChIKey of 1,2,3,4,5,6,7-heptafluoroacenaphthylene?
The InChIKey is WSPRBJFRNFFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF7/c13-3-1-2-4-5(8(3)15)10(17)12(19)11(18)6(4)9(16)7(2)14/h1H.
What are the key properties of 1,2,3,4,5,6,7-heptafluoroacenaphthylene?
1,2,3,4,5,6,7-heptafluoroacenaphthylene has a molecular weight of 278.13 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptafluoroacenaphthylene is sourced from PubChem (CID 23234814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).