(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

C17H26F2 — CID 59842330

IUPAC(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1CCC2=CC(F)(F)C=C[C@]2(C)C1C(C)C
InChIInChI=1S/C17H26F2/c1-11(2)14-7-6-13-10-17(18,19)9-8-16(13,5)15(14)12(3)4/h8-12,14-15H,6-7H2,1-5H3/t14?,15?,16-/m0/s1
InChIKeyNVVXVPNPMHHTMX-GPANFISMSA-N
MW268.39 g/mol
LogP5.46
Rot. Bonds2

About (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene

(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 59842330) has the molecular formula C17H26F2 and a molecular weight of 268.39 g/mol. Its IUPAC name is (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID59842330
Molecular FormulaC17H26F2
Molecular Weight268.39 g/mol
Exact Mass268.20
IUPAC Name(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)C1CCC2=CC(F)(F)C=C[C@]2(C)C1C(C)C
InChIInChI=1S/C17H26F2/c1-11(2)14-7-6-13-10-17(18,19)9-8-16(13,5)15(14)12(3)4/h8-12,14-15H,6-7H2,1-5H3/t14?,15?,16-/m0/s1
InChIKeyNVVXVPNPMHHTMX-GPANFISMSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 55.46
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-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene (CID 59842330) is (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is CC(C)C1CCC2=CC(F)(F)C=C[C@]2(C)C1C(C)C.
What is the InChIKey of (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NVVXVPNPMHHTMX-GPANFISMSA-N. The full InChI is InChI=1S/C17H26F2/c1-11(2)14-7-6-13-10-17(18,19)9-8-16(13,5)15(14)12(3)4/h8-12,14-15H,6-7H2,1-5H3/t14?,15?,16-/m0/s1.
What are the key properties of (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene?
(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 268.39 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 59842330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).