1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane

C9H10BrF9 — CID 175517627

IUPAC1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C9H10BrF9/c1-2-3-4-5(11)6(12,13)7(14,15)8(16,17)9(10,18)19/h5H,2-4H2,1H3
InChIKeyLYXRBWSMEDSSOF-UHFFFAOYSA-N
MW369.07 g/mol
LogP5.41
Rot. Bonds7

About 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane

1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane (PubChem CID 175517627) has the molecular formula C9H10BrF9 and a molecular weight of 369.07 g/mol. Its IUPAC name is 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane.

Molecular Properties

Compound Name1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
PubChem CID175517627
Molecular FormulaC9H10BrF9
Molecular Weight369.07 g/mol
Exact Mass367.98
IUPAC Name1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChIInChI=1S/C9H10BrF9/c1-2-3-4-5(11)6(12,13)7(14,15)8(16,17)9(10,18)19/h5H,2-4H2,1H3
InChIKeyLYXRBWSMEDSSOF-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.07
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
CID 175345663
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
2,2,3,3,4-pentafluoro-1,1,1-trimethoxydecane
CID 151380849
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
1,1,2-trifluorohexan-1-ol
CID 142765310
tetraethylazanium;1,1,2,2,3,3,4,4,5,5,6-undecafluorodecane-1-sulfonate
CID 122481847
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane?
The IUPAC name of 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane (CID 175517627) is 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane.
What is the SMILES notation for 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane?
The canonical SMILES for 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane is CCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane?
The InChIKey is LYXRBWSMEDSSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF9/c1-2-3-4-5(11)6(12,13)7(14,15)8(16,17)9(10,18)19/h5H,2-4H2,1H3.
What are the key properties of 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane?
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane has a molecular weight of 369.07 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane is sourced from PubChem (CID 175517627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).