2,2,3,3,4,4-hexafluoropentane

C5H6F6 — CID 18188371

IUPAC2,2,3,3,4,4-hexafluoropentane
SMILESCC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F6/c1-3(6,7)5(10,11)4(2,8)9/h1-2H3
InChIKeySXWLKLQVUKBEIY-UHFFFAOYSA-N
MW180.09 g/mol
LogP2.93
Rot. Bonds2

About 2,2,3,3,4,4-hexafluoropentane

2,2,3,3,4,4-hexafluoropentane (PubChem CID 18188371) has the molecular formula C5H6F6 and a molecular weight of 180.09 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoropentane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoropentane
PubChem CID18188371
Molecular FormulaC5H6F6
Molecular Weight180.09 g/mol
Exact Mass180.04
IUPAC Name2,2,3,3,4,4-hexafluoropentane
SMILESCC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C5H6F6/c1-3(6,7)5(10,11)4(2,8)9/h1-2H3
InChIKeySXWLKLQVUKBEIY-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.09
LogP ≤ 52.93
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

1,1,1,2,2,3,4,5,5,5-Decafluoropentane
CID 86240
1,1,1,3,3-Pentafluorobutane
CID 67884
1H,1H,1H,2H,2H-Nonafluorohexane
CID 11230396
1,1,1,2-Tetrafluoropropane (FC-254eb)
CID 12583891
1,1,1,2,2,3,3,4,4,5,5-Undecafluoropentane
CID 9816874
1,1,1,2,2,3,3-Heptafluorobutane
CID 14936894
2,2-Difluoropentane
CID 520839
1,1,1,4,4,4-Hexafluorobutane
CID 67890
3,3-Difluoropentane
CID 13459596
1,1,1-Trifluorobutane
CID 14512801
1,1,1,2,2-Pentafluorohexane
CID 125096
1,1,1,2,2,3,3,4,4,5,5-Undecafluoroheptane
CID 11102375

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoropentane?
The IUPAC name of 2,2,3,3,4,4-hexafluoropentane (CID 18188371) is 2,2,3,3,4,4-hexafluoropentane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoropentane?
The canonical SMILES for 2,2,3,3,4,4-hexafluoropentane is CC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoropentane?
The InChIKey is SXWLKLQVUKBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6/c1-3(6,7)5(10,11)4(2,8)9/h1-2H3.
What are the key properties of 2,2,3,3,4,4-hexafluoropentane?
2,2,3,3,4,4-hexafluoropentane has a molecular weight of 180.09 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoropentane is sourced from PubChem (CID 18188371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).