6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene

C16H26F2 — CID 134969750

IUPAC6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene
SMILESCC1=C(C)C(F)(F)CC2(C)C1CCC(C)(C)C2C
InChIInChI=1S/C16H26F2/c1-10-11(2)16(17,18)9-15(6)12(3)14(4,5)8-7-13(10)15/h12-13H,7-9H2,1-6H3
InChIKeyRLIPTVMOVZSPGZ-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.44
Rot. Bonds

About 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene

6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene (PubChem CID 134969750) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene
PubChem CID134969750
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene
SMILESCC1=C(C)C(F)(F)CC2(C)C1CCC(C)(C)C2C
InChIInChI=1S/C16H26F2/c1-10-11(2)16(17,18)9-15(6)12(3)14(4,5)8-7-13(10)15/h12-13H,7-9H2,1-6H3
InChIKeyRLIPTVMOVZSPGZ-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene with MolForge

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Related Compounds

(4aS,8aS)-4,4,7,8,8a-pentamethyl-1,2,3,4a,5,6-hexahydronaphthalene
CID 46888523
1-Methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
CID 20578461
2-[3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 20759709
3-(4-Propylcyclohexyl)-7-(trifluoromethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 20810923
(8S,9R,11S,13S,14S)-11-(difluoromethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 54069251
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 59042279
(4aR)-7-(difluoromethylidene)-4a-methyl-3,4-di(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CID 59842295
(8aR)-6-(difluoromethylidene)-8a-methyl-1,2-di(propan-2-yl)-1,2,3,5,7,8-hexahydronaphthalene
CID 59842323
(8aR)-6,6-difluoro-8a-methyl-1,2-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 59842330
1-Methyl-1-propan-2-yl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexane
CID 70345646
(4aR)-7-(difluoromethylidene)-3,4,4a-trimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 70803524
(8aR)-6,6-difluoro-1,2,8a-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 70803527

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene?
The IUPAC name of 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene (CID 134969750) is 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene.
What is the SMILES notation for 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene?
The canonical SMILES for 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene is CC1=C(C)C(F)(F)CC2(C)C1CCC(C)(C)C2C.
What is the InChIKey of 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene?
The InChIKey is RLIPTVMOVZSPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2/c1-10-11(2)16(17,18)9-15(6)12(3)14(4,5)8-7-13(10)15/h12-13H,7-9H2,1-6H3.
What are the key properties of 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene?
6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene has a molecular weight of 256.38 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3,3,4,4a,7,8-hexamethyl-2,4,5,8a-tetrahydro-1H-naphthalene is sourced from PubChem (CID 134969750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).