(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene

C13H18F2 — CID 70803527

IUPAC(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2=CC(F)(F)C=C[C@]2(C)C1C
InChIInChI=1S/C13H18F2/c1-9-4-5-11-8-13(14,15)7-6-12(11,3)10(9)2/h6-10H,4-5H2,1-3H3/t9?,10?,12-/m1/s1
InChIKeyBEZGRNAOEGNTLA-RTYFJBAXSA-N
MW212.28 g/mol
LogP4.19
Rot. Bonds

About (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene

(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 70803527) has the molecular formula C13H18F2 and a molecular weight of 212.28 g/mol. Its IUPAC name is (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID70803527
Molecular FormulaC13H18F2
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCC1CCC2=CC(F)(F)C=C[C@]2(C)C1C
InChIInChI=1S/C13H18F2/c1-9-4-5-11-8-13(14,15)7-6-12(11,3)10(9)2/h6-10H,4-5H2,1-3H3/t9?,10?,12-/m1/s1
InChIKeyBEZGRNAOEGNTLA-RTYFJBAXSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene (CID 70803527) is (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene is CC1CCC2=CC(F)(F)C=C[C@]2(C)C1C.
What is the InChIKey of (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BEZGRNAOEGNTLA-RTYFJBAXSA-N. The full InChI is InChI=1S/C13H18F2/c1-9-4-5-11-8-13(14,15)7-6-12(11,3)10(9)2/h6-10H,4-5H2,1-3H3/t9?,10?,12-/m1/s1.
What are the key properties of (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene?
(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 212.28 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 70803527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).