1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride

C16H22F18 — CID 91444371

IUPAC1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC(F)(F)C(F)(F)CC(F)F.CCC(F)(F)CC(F)(F)F.F
InChIInChI=1S/C6H8F6.C5H6F6.C5H7F5.FH/c1-2-5(9,10)6(11,12)3-4(7)8;1-3(2,4(6,7)8)5(9,10)11;1-2-4(6,7)3-5(8,9)10;/h4H,2-3H2,1H3;1-2H3;2-3H2,1H3;1H
InChIKeyLXVDEBLTBVXLHL-UHFFFAOYSA-N
MW556.32 g/mol
LogP9.60
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride (PubChem CID 91444371) has the molecular formula C16H22F18 and a molecular weight of 556.32 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride
PubChem CID91444371
Molecular FormulaC16H22F18
Molecular Weight556.32 g/mol
Exact Mass556.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CCC(F)(F)C(F)(F)CC(F)F.CCC(F)(F)CC(F)(F)F.F
InChIInChI=1S/C6H8F6.C5H6F6.C5H7F5.FH/c1-2-5(9,10)6(11,12)3-4(7)8;1-3(2,4(6,7)8)5(9,10)11;1-2-4(6,7)3-5(8,9)10;/h4H,2-3H2,1H3;1-2H3;2-3H2,1H3;1H
InChIKeyLXVDEBLTBVXLHL-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.32
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride (CID 91444371) is 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride is CC(C)(C(F)(F)F)C(F)(F)F.CCC(F)(F)C(F)(F)CC(F)F.CCC(F)(F)CC(F)(F)F.F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride?
The InChIKey is LXVDEBLTBVXLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6.C5H6F6.C5H7F5.FH/c1-2-5(9,10)6(11,12)3-4(7)8;1-3(2,4(6,7)8)5(9,10)11;1-2-4(6,7)3-5(8,9)10;/h4H,2-3H2,1H3;1-2H3;2-3H2,1H3;1H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride?
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride has a molecular weight of 556.32 g/mol, XLogP of 9.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;1,1,3,3,4,4-hexafluorohexane;1,1,1,3,3-pentafluoropentane;hydrofluoride is sourced from PubChem (CID 91444371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).