3-fluoro-6-methyl-2-pentylnaphthalene

C16H19F — CID 58718820

IUPAC3-fluoro-6-methyl-2-pentylnaphthalene
SMILESCCCCCc1cc2ccc(C)cc2cc1F
InChIInChI=1S/C16H19F/c1-3-4-5-6-14-10-13-8-7-12(2)9-15(13)11-16(14)17/h7-11H,3-6H2,1-2H3
InChIKeyMMMQZSYQVKBLEO-UHFFFAOYSA-N
MW230.33 g/mol
LogP5.02
Rot. Bonds4

About 3-fluoro-6-methyl-2-pentylnaphthalene

3-fluoro-6-methyl-2-pentylnaphthalene (PubChem CID 58718820) has the molecular formula C16H19F and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-fluoro-6-methyl-2-pentylnaphthalene.

Molecular Properties

Compound Name3-fluoro-6-methyl-2-pentylnaphthalene
PubChem CID58718820
Molecular FormulaC16H19F
Molecular Weight230.33 g/mol
Exact Mass230.15
IUPAC Name3-fluoro-6-methyl-2-pentylnaphthalene
SMILESCCCCCc1cc2ccc(C)cc2cc1F
InChIInChI=1S/C16H19F/c1-3-4-5-6-14-10-13-8-7-12(2)9-15(13)11-16(14)17/h7-11H,3-6H2,1-2H3
InChIKeyMMMQZSYQVKBLEO-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.33
LogP ≤ 55.02
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 3-fluoro-6-methyl-2-pentylnaphthalene?
The IUPAC name of 3-fluoro-6-methyl-2-pentylnaphthalene (CID 58718820) is 3-fluoro-6-methyl-2-pentylnaphthalene.
What is the SMILES notation for 3-fluoro-6-methyl-2-pentylnaphthalene?
The canonical SMILES for 3-fluoro-6-methyl-2-pentylnaphthalene is CCCCCc1cc2ccc(C)cc2cc1F.
What is the InChIKey of 3-fluoro-6-methyl-2-pentylnaphthalene?
The InChIKey is MMMQZSYQVKBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F/c1-3-4-5-6-14-10-13-8-7-12(2)9-15(13)11-16(14)17/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-6-methyl-2-pentylnaphthalene?
3-fluoro-6-methyl-2-pentylnaphthalene has a molecular weight of 230.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-2-pentylnaphthalene is sourced from PubChem (CID 58718820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).