bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane

C138H274F12 — CID 158499721

IUPACbis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane
SMILESCC(C)/C=C/CC(F)(F)C(C)C.CC(C)/C=C/CCC(C)C.CC(C)C/C=C/C(F)(F)C(C)C.CC(C)C/C=C/C(F)C(C)C.CC(C)CCC1C(C(C)C)C1(F)F.CC(C)CCC1CC1C(C)C.CC(C)CCCC(C)(C)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)C(C)C.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCCC(C)C
InChIInChI=1S/2C12H24.C12H26.C11H20F2.C11H22.2C10H20F2.2C10H18F2.C10H21F.C10H19F.C10H22.C10H20/c2*1-10(2)6-5-7-12(8-9-12)11(3)4;1-10(2)8-7-9-12(5,6)11(3)4;1-7(2)5-6-9-10(8(3)4)11(9,12)13;1-8(2)5-6-10-7-11(10)9(3)4;4*1-8(2)6-5-7-10(11,12)9(3)4;2*1-8(2)6-5-7-10(11)9(3)4;2*1-9(2)7-5-6-8-10(3)4/h2*10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;7-10H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;8-10H,5-7H2,1-4H3;5,7-10H,6H2,1-4H3;9-10H,5-8H2,1-4H3;5,7,9-10H,6,8H2,1-4H3/b;;;;;;;7-5+;6-5+;;7-5+;;7-5+
InChIKeyHJSVQOTXHAHJIF-FSSATUGSSA-N
MW2161.69 g/mol
LogP51.52
Rot. Bonds59

About bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane

bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane (PubChem CID 158499721) has the molecular formula C138H274F12 and a molecular weight of 2161.69 g/mol. Its IUPAC name is bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane.

Molecular Properties

Compound Namebis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane
PubChem CID158499721
Molecular FormulaC138H274F12
Molecular Weight2161.69 g/mol
Exact Mass2160.12
IUPAC Namebis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane
SMILESCC(C)/C=C/CC(F)(F)C(C)C.CC(C)/C=C/CCC(C)C.CC(C)C/C=C/C(F)(F)C(C)C.CC(C)C/C=C/C(F)C(C)C.CC(C)CCC1C(C(C)C)C1(F)F.CC(C)CCC1CC1C(C)C.CC(C)CCCC(C)(C)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)C(C)C.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCCC(C)C
InChIInChI=1S/2C12H24.C12H26.C11H20F2.C11H22.2C10H20F2.2C10H18F2.C10H21F.C10H19F.C10H22.C10H20/c2*1-10(2)6-5-7-12(8-9-12)11(3)4;1-10(2)8-7-9-12(5,6)11(3)4;1-7(2)5-6-9-10(8(3)4)11(9,12)13;1-8(2)5-6-10-7-11(10)9(3)4;4*1-8(2)6-5-7-10(11,12)9(3)4;2*1-8(2)6-5-7-10(11)9(3)4;2*1-9(2)7-5-6-8-10(3)4/h2*10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;7-10H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;8-10H,5-7H2,1-4H3;5,7-10H,6H2,1-4H3;9-10H,5-8H2,1-4H3;5,7,9-10H,6,8H2,1-4H3/b;;;;;;;7-5+;6-5+;;7-5+;;7-5+
InChIKeyHJSVQOTXHAHJIF-FSSATUGSSA-N
XLogP51.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds59
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.69
LogP ≤ 551.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane?
The IUPAC name of bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane (CID 158499721) is bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane.
What is the SMILES notation for bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane?
The canonical SMILES for bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane is CC(C)/C=C/CC(F)(F)C(C)C.CC(C)/C=C/CCC(C)C.CC(C)C/C=C/C(F)(F)C(C)C.CC(C)C/C=C/C(F)C(C)C.CC(C)CCC1C(C(C)C)C1(F)F.CC(C)CCC1CC1C(C)C.CC(C)CCCC(C)(C)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)(F)C(C)C.CC(C)CCCC(F)C(C)C.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCC1(C(C)C)CC1.CC(C)CCCCC(C)C.
What is the InChIKey of bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane?
The InChIKey is HJSVQOTXHAHJIF-FSSATUGSSA-N. The full InChI is InChI=1S/2C12H24.C12H26.C11H20F2.C11H22.2C10H20F2.2C10H18F2.C10H21F.C10H19F.C10H22.C10H20/c2*1-10(2)6-5-7-12(8-9-12)11(3)4;1-10(2)8-7-9-12(5,6)11(3)4;1-7(2)5-6-9-10(8(3)4)11(9,12)13;1-8(2)5-6-10-7-11(10)9(3)4;4*1-8(2)6-5-7-10(11,12)9(3)4;2*1-8(2)6-5-7-10(11)9(3)4;2*1-9(2)7-5-6-8-10(3)4/h2*10-11H,5-9H2,1-4H3;10-11H,7-9H2,1-6H3;7-10H,5-6H2,1-4H3;8-11H,5-7H2,1-4H3;2*8-9H,5-7H2,1-4H3;5,7-9H,6H2,1-4H3;5-6,8-9H,7H2,1-4H3;8-10H,5-7H2,1-4H3;5,7-10H,6H2,1-4H3;9-10H,5-8H2,1-4H3;5,7,9-10H,6,8H2,1-4H3/b;;;;;;;7-5+;6-5+;;7-5+;;7-5+.
What are the key properties of bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane?
bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane has a molecular weight of 2161.69 g/mol, XLogP of 51.52, 59 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-2,7-dimethyloctane);(E)-3,3-difluoro-2,7-dimethyloct-4-ene;(E)-6,6-difluoro-2,7-dimethyloct-3-ene;1,1-difluoro-2-(3-methylbutyl)-3-propan-2-ylcyclopropane;2,7-dimethyloctane;(E)-2,7-dimethyloct-3-ene;3-fluoro-2,7-dimethyloctane;(E)-3-fluoro-2,7-dimethyloct-4-ene;1-(3-methylbutyl)-2-propan-2-ylcyclopropane;bis(1-(4-methylpentyl)-1-propan-2-ylcyclopropane);2,3,3,7-tetramethyloctane is sourced from PubChem (CID 158499721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).