5-chloro-1-decyl-3-fluoronaphthalene

C20H26ClF — CID 11602195

IUPAC5-chloro-1-decyl-3-fluoronaphthalene
SMILESCCCCCCCCCCc1cc(F)cc2c(Cl)cccc12
InChIInChI=1S/C20H26ClF/c1-2-3-4-5-6-7-8-9-11-16-14-17(22)15-19-18(16)12-10-13-20(19)21/h10,12-15H,2-9,11H2,1H3
InChIKeyUMAUMBVYHRBJTG-UHFFFAOYSA-N
MW320.88 g/mol
LogP7.32
Rot. Bonds9

About 5-chloro-1-decyl-3-fluoronaphthalene

5-chloro-1-decyl-3-fluoronaphthalene (PubChem CID 11602195) has the molecular formula C20H26ClF and a molecular weight of 320.88 g/mol. Its IUPAC name is 5-chloro-1-decyl-3-fluoronaphthalene.

Molecular Properties

Compound Name5-chloro-1-decyl-3-fluoronaphthalene
PubChem CID11602195
Molecular FormulaC20H26ClF
Molecular Weight320.88 g/mol
Exact Mass320.17
IUPAC Name5-chloro-1-decyl-3-fluoronaphthalene
SMILESCCCCCCCCCCc1cc(F)cc2c(Cl)cccc12
InChIInChI=1S/C20H26ClF/c1-2-3-4-5-6-7-8-9-11-16-14-17(22)15-19-18(16)12-10-13-20(19)21/h10,12-15H,2-9,11H2,1H3
InChIKeyUMAUMBVYHRBJTG-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.88
LogP ≤ 57.32
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 5-chloro-1-decyl-3-fluoronaphthalene?
The IUPAC name of 5-chloro-1-decyl-3-fluoronaphthalene (CID 11602195) is 5-chloro-1-decyl-3-fluoronaphthalene.
What is the SMILES notation for 5-chloro-1-decyl-3-fluoronaphthalene?
The canonical SMILES for 5-chloro-1-decyl-3-fluoronaphthalene is CCCCCCCCCCc1cc(F)cc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-1-decyl-3-fluoronaphthalene?
The InChIKey is UMAUMBVYHRBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF/c1-2-3-4-5-6-7-8-9-11-16-14-17(22)15-19-18(16)12-10-13-20(19)21/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 5-chloro-1-decyl-3-fluoronaphthalene?
5-chloro-1-decyl-3-fluoronaphthalene has a molecular weight of 320.88 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-decyl-3-fluoronaphthalene is sourced from PubChem (CID 11602195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).