1,1,1,2,2,3,3,4,4-nonafluorooctane

C8H9F9 — CID 22002951

IUPAC1,1,1,2,2,3,3,4,4-nonafluorooctane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-2-3-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3
InChIKeyDHVISCLQILVWLM-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.64
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4-nonafluorooctane

1,1,1,2,2,3,3,4,4-nonafluorooctane (PubChem CID 22002951) 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-nonafluorooctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorooctane
PubChem CID22002951
Molecular FormulaC8H9F9
Molecular Weight276.14 g/mol
Exact Mass276.06
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorooctane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-2-3-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3
InChIKeyDHVISCLQILVWLM-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.64
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

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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorooctane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorooctane (CID 22002951) is 1,1,1,2,2,3,3,4,4-nonafluorooctane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorooctane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorooctane is CCCCC(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-nonafluorooctane?
The InChIKey is DHVISCLQILVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9/c1-2-3-4-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorooctane?
1,1,1,2,2,3,3,4,4-nonafluorooctane has a molecular weight of 276.14 g/mol, XLogP of 4.64, 5 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-nonafluorooctane is sourced from PubChem (CID 22002951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).