2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane

C7H6F10 — CID 54187869

IUPAC2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
SMILESFC(F)C(F)(F)CCC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10/c8-3(9)5(12,7(15,16)17)1-2-6(13,14)4(10)11/h3-4H,1-2H2
InChIKeyCYKKUVSCQCUZAK-UHFFFAOYSA-N
MW280.10 g/mol
LogP4.20
Rot. Bonds5

About 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane

2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane (PubChem CID 54187869) has the molecular formula C7H6F10 and a molecular weight of 280.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
PubChem CID54187869
Molecular FormulaC7H6F10
Molecular Weight280.10 g/mol
Exact Mass280.03
IUPAC Name2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane
SMILESFC(F)C(F)(F)CCC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C7H6F10/c8-3(9)5(12,7(15,16)17)1-2-6(13,14)4(10)11/h3-4H,1-2H2
InChIKeyCYKKUVSCQCUZAK-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.10
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,3,4,5,5,5-Nonafluoro-2-(trifluoromethyl)pentane
CID 3020925
1,1,1,2,3,3-Hexafluoro-5-methylhexane
CID 10512536
1,1,1,2,2,5,5,6,6,6-Decafluoro-3-methylhexane
CID 12613476
1,1,1,3,3,4,4,5,5,6,6-Undecafluoro-2-(trifluoromethyl)hexane
CID 23236420
1-(Difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane
CID 10727137
1,1,2-Trifluoro-2-(trifluoromethyl)cyclopentane
CID 12829406
2-(Difluoromethyl)-1,1,1,3,4,5,5,5-octafluoropentane
CID 15044582
2-(Difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane
CID 15044591
2-(Difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane
CID 15044594
2-(Difluoromethyl)-1,1,1,3,3,4,4,5-octafluoropentane
CID 15044602
2-Trifluoromethyl-1,1,3,3,4,4-hexafluorohexane
CID 15044622
2-Trifluoromethyl-1,1,3,3-tetrafluorohexane
CID 15044623

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane (CID 54187869) is 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane is FC(F)C(F)(F)CCC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane?
The InChIKey is CYKKUVSCQCUZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10/c8-3(9)5(12,7(15,16)17)1-2-6(13,14)4(10)11/h3-4H,1-2H2.
What are the key properties of 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane?
2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane has a molecular weight of 280.10 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,2,5,5,6,6-octafluorohexane is sourced from PubChem (CID 54187869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).