5-fluoro-3-methyl-1,2-dihydronaphthalene

C11H11F — CID 146233023

IUPAC5-fluoro-3-methyl-1,2-dihydronaphthalene
SMILESCC1=Cc2c(F)cccc2CC1
InChIInChI=1S/C11H11F/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,7H,5-6H2,1H3
InChIKeyBXJCSPORKRHHFW-UHFFFAOYSA-N
MW162.21 g/mol
LogP3.18
Rot. Bonds

About 5-fluoro-3-methyl-1,2-dihydronaphthalene

5-fluoro-3-methyl-1,2-dihydronaphthalene (PubChem CID 146233023) has the molecular formula C11H11F and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-3-methyl-1,2-dihydronaphthalene
PubChem CID146233023
Molecular FormulaC11H11F
Molecular Weight162.21 g/mol
Exact Mass162.08
IUPAC Name5-fluoro-3-methyl-1,2-dihydronaphthalene
SMILESCC1=Cc2c(F)cccc2CC1
InChIInChI=1S/C11H11F/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,7H,5-6H2,1H3
InChIKeyBXJCSPORKRHHFW-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1,2-dihydronaphthalene?
The IUPAC name of 5-fluoro-3-methyl-1,2-dihydronaphthalene (CID 146233023) is 5-fluoro-3-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-3-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 5-fluoro-3-methyl-1,2-dihydronaphthalene is CC1=Cc2c(F)cccc2CC1.
What is the InChIKey of 5-fluoro-3-methyl-1,2-dihydronaphthalene?
The InChIKey is BXJCSPORKRHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-fluoro-3-methyl-1,2-dihydronaphthalene?
5-fluoro-3-methyl-1,2-dihydronaphthalene has a molecular weight of 162.21 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 146233023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).