1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene

C15H16F2 — CID 143700727

IUPAC1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
SMILESCc1cc(F)c2c(F)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C15H16F2/c1-7-6-12(16)14-13(8(7)2)10(4)9(3)11(5)15(14)17/h6H,1-5H3
InChIKeyUTZPFZJWMIKVOH-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.66
Rot. Bonds

About 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene

1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene (PubChem CID 143700727) has the molecular formula C15H16F2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene.

Molecular Properties

Compound Name1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
PubChem CID143700727
Molecular FormulaC15H16F2
Molecular Weight234.29 g/mol
Exact Mass234.12
IUPAC Name1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
SMILESCc1cc(F)c2c(F)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C15H16F2/c1-7-6-12(16)14-13(8(7)2)10(4)9(3)11(5)15(14)17/h6H,1-5H3
InChIKeyUTZPFZJWMIKVOH-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene?
The IUPAC name of 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene (CID 143700727) is 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene.
What is the SMILES notation for 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene?
The canonical SMILES for 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene is Cc1cc(F)c2c(F)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene?
The InChIKey is UTZPFZJWMIKVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2/c1-7-6-12(16)14-13(8(7)2)10(4)9(3)11(5)15(14)17/h6H,1-5H3.
What are the key properties of 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene?
1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene has a molecular weight of 234.29 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene is sourced from PubChem (CID 143700727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).