1,2,2,3,3,4,4-heptafluorononane-1,1-diol

C9H13F7O2 — CID 152701783

IUPAC1,2,2,3,3,4,4-heptafluorononane-1,1-diol
SMILESCCCCCC(F)(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C9H13F7O2/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h17-18H,2-5H2,1H3
InChIKeyZRSSACNTBIPHSK-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.08
Rot. Bonds7

About 1,2,2,3,3,4,4-heptafluorononane-1,1-diol

1,2,2,3,3,4,4-heptafluorononane-1,1-diol (PubChem CID 152701783) has the molecular formula C9H13F7O2 and a molecular weight of 286.19 g/mol. Its IUPAC name is 1,2,2,3,3,4,4-heptafluorononane-1,1-diol.

Molecular Properties

Compound Name1,2,2,3,3,4,4-heptafluorononane-1,1-diol
PubChem CID152701783
Molecular FormulaC9H13F7O2
Molecular Weight286.19 g/mol
Exact Mass286.08
IUPAC Name1,2,2,3,3,4,4-heptafluorononane-1,1-diol
SMILESCCCCCC(F)(F)C(F)(F)C(F)(F)C(O)(O)F
InChIInChI=1S/C9H13F7O2/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h17-18H,2-5H2,1H3
InChIKeyZRSSACNTBIPHSK-UHFFFAOYSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,2,3,3,4,4-heptafluoroheptane-1,1-diol
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3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
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
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4-heptafluorononane-1,1-diol?
The IUPAC name of 1,2,2,3,3,4,4-heptafluorononane-1,1-diol (CID 152701783) is 1,2,2,3,3,4,4-heptafluorononane-1,1-diol.
What is the SMILES notation for 1,2,2,3,3,4,4-heptafluorononane-1,1-diol?
The canonical SMILES for 1,2,2,3,3,4,4-heptafluorononane-1,1-diol is CCCCCC(F)(F)C(F)(F)C(F)(F)C(O)(O)F.
What is the InChIKey of 1,2,2,3,3,4,4-heptafluorononane-1,1-diol?
The InChIKey is ZRSSACNTBIPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O2/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h17-18H,2-5H2,1H3.
What are the key properties of 1,2,2,3,3,4,4-heptafluorononane-1,1-diol?
1,2,2,3,3,4,4-heptafluorononane-1,1-diol has a molecular weight of 286.19 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4-heptafluorononane-1,1-diol is sourced from PubChem (CID 152701783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).