(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene

C12H15FO — CID 174290480

IUPAC(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene
SMILESCOC1C2C=CC(F)=CC2C=C[C@H]1C
InChIInChI=1S/C12H15FO/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-9,11-12H,1-2H3/t8-,9?,11?,12?/m1/s1
InChIKeyZJCOZKUYEZATOG-NVGMAVIKSA-N
MW194.25 g/mol
LogP2.86
Rot. Bonds1

About (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene

(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene (PubChem CID 174290480) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene
PubChem CID174290480
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene
SMILESCOC1C2C=CC(F)=CC2C=C[C@H]1C
InChIInChI=1S/C12H15FO/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-9,11-12H,1-2H3/t8-,9?,11?,12?/m1/s1
InChIKeyZJCOZKUYEZATOG-NVGMAVIKSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene (CID 174290480) is (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene is COC1C2C=CC(F)=CC2C=C[C@H]1C.
What is the InChIKey of (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is ZJCOZKUYEZATOG-NVGMAVIKSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-3-4-9-7-10(13)5-6-11(9)12(8)14-2/h3-9,11-12H,1-2H3/t8-,9?,11?,12?/m1/s1.
What are the key properties of (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene?
(2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 194.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-1-methoxy-2-methyl-1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 174290480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).