2,7-dichloro-9,9-dihexylfluorene

C25H32Cl2 — CID 11732181

IUPAC2,7-dichloro-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C25H32Cl2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeySLXVDFOQDXOWAX-UHFFFAOYSA-N
MW403.44 g/mol
LogP9.20
Rot. Bonds10

About 2,7-dichloro-9,9-dihexylfluorene

2,7-dichloro-9,9-dihexylfluorene (PubChem CID 11732181) has the molecular formula C25H32Cl2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2,7-dichloro-9,9-dihexylfluorene.

Molecular Properties

Compound Name2,7-dichloro-9,9-dihexylfluorene
PubChem CID11732181
Molecular FormulaC25H32Cl2
Molecular Weight403.44 g/mol
Exact Mass402.19
IUPAC Name2,7-dichloro-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C25H32Cl2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeySLXVDFOQDXOWAX-UHFFFAOYSA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-9,9-dihexylfluorene?
The IUPAC name of 2,7-dichloro-9,9-dihexylfluorene (CID 11732181) is 2,7-dichloro-9,9-dihexylfluorene.
What is the SMILES notation for 2,7-dichloro-9,9-dihexylfluorene?
The canonical SMILES for 2,7-dichloro-9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2cc(Cl)ccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2,7-dichloro-9,9-dihexylfluorene?
The InChIKey is SLXVDFOQDXOWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3.
What are the key properties of 2,7-dichloro-9,9-dihexylfluorene?
2,7-dichloro-9,9-dihexylfluorene has a molecular weight of 403.44 g/mol, XLogP of 9.20, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-9,9-dihexylfluorene is sourced from PubChem (CID 11732181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).