1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane

C8H9F9 — CID 129191399

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
SMILESCC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(2,3)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3
InChIKeyRRLIIORCXJGDGS-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.50
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane

1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane (PubChem CID 129191399) has the molecular formula C8H9F9 and a molecular weight of 276.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
PubChem CID129191399
Molecular FormulaC8H9F9
Molecular Weight276.14 g/mol
Exact Mass276.06
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
SMILESCC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-4(2,3)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3
InChIKeyRRLIIORCXJGDGS-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.50
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-2-methylnonan-2-amine
CID 87970536
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
5-(2,3,3,4,4,5,5,6,6,6-decafluorohexan-2-yloxy)-1,1,1,2,2,3,3,4,4,5-decafluorohexane
CID 155147348
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane (CID 129191399) is 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane is CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane?
The InChIKey is RRLIIORCXJGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9/c1-4(2,3)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane?
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane has a molecular weight of 276.14 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane is sourced from PubChem (CID 129191399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).