1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene

C11H13F — CID 84717004

IUPAC1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CCCC2F
InChIInChI=1S/C11H13F/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7,11H,2-4H2,1H3
InChIKeyGNXOAMGHBXGIJO-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.34
Rot. Bonds

About 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene

1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 84717004) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID84717004
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc2c(c1)CCCC2F
InChIInChI=1S/C11H13F/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7,11H,2-4H2,1H3
InChIKeyGNXOAMGHBXGIJO-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene (CID 84717004) is 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene is Cc1ccc2c(c1)CCCC2F.
What is the InChIKey of 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GNXOAMGHBXGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5-7,11H,2-4H2,1H3.
What are the key properties of 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene?
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 164.22 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 84717004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).