3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane

C20H42F2 — CID 159176608

IUPAC3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane
SMILESCC(C)CCCC(F)(F)C(C)C.CC(C)CCCCC(C)C
InChIInChI=1S/C10H20F2.C10H22/c1-8(2)6-5-7-10(11,12)9(3)4;1-9(2)7-5-6-8-10(3)4/h8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKMIZHCAWXSLZKN-UHFFFAOYSA-N
MW320.55 g/mol
LogP7.96
Rot. Bonds10

About 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane

3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane (PubChem CID 159176608) has the molecular formula C20H42F2 and a molecular weight of 320.55 g/mol. Its IUPAC name is 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane.

Molecular Properties

Compound Name3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane
PubChem CID159176608
Molecular FormulaC20H42F2
Molecular Weight320.55 g/mol
Exact Mass320.33
IUPAC Name3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane
SMILESCC(C)CCCC(F)(F)C(C)C.CC(C)CCCCC(C)C
InChIInChI=1S/C10H20F2.C10H22/c1-8(2)6-5-7-10(11,12)9(3)4;1-9(2)7-5-6-8-10(3)4/h8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKMIZHCAWXSLZKN-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
1,1-Difluoro-2-hexylcyclopropane
CID 23235827
1,20-Difluoro-9,12-dimethylicosane
CID 102842
7-(Fluoromethyl)pentadecane
CID 12030558
4-(Difluoromethyl)octane
CID 14909954
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyldodecane
CID 20576124
1,1,1-Trifluoro-19,24-dioctadecyldotetracontane
CID 86174523
1,1,1,42,42,42-Hexafluoro-19,24-bis(18,18,18-trifluorooctadecyl)dotetracontane
CID 101666750
1-Fluoro-3,7,11,15-tetramethylhexadecane
CID 123173855
1,1,2,2-Tetrafluoro-3-hexadecyl-cyclobutane
CID 129658447

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane?
The IUPAC name of 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane (CID 159176608) is 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane.
What is the SMILES notation for 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane?
The canonical SMILES for 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane is CC(C)CCCC(F)(F)C(C)C.CC(C)CCCCC(C)C.
What is the InChIKey of 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane?
The InChIKey is KMIZHCAWXSLZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2.C10H22/c1-8(2)6-5-7-10(11,12)9(3)4;1-9(2)7-5-6-8-10(3)4/h8-9H,5-7H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane?
3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane has a molecular weight of 320.55 g/mol, XLogP of 7.96, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,7-dimethyloctane;2,7-dimethyloctane is sourced from PubChem (CID 159176608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).