sodium 5-fluorononanoate

C9H16FNaO2 — CID 101279287

IUPACsodium 5-fluorononanoate
SMILESCCCCC(F)CCCC(=O)[O-].[Na+]
InChIInChI=1S/C9H17FO2.Na/c1-2-3-5-8(10)6-4-7-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyXBKFQWWJDFDDCS-UHFFFAOYSA-M
MW198.21 g/mol
LogP-1.56
Rot. Bonds7

About sodium 5-fluorononanoate

sodium 5-fluorononanoate (PubChem CID 101279287) has the molecular formula C9H16FNaO2 and a molecular weight of 198.21 g/mol. Its IUPAC name is sodium 5-fluorononanoate.

Molecular Properties

Compound Namesodium 5-fluorononanoate
PubChem CID101279287
Molecular FormulaC9H16FNaO2
Molecular Weight198.21 g/mol
Exact Mass198.10
IUPAC Namesodium 5-fluorononanoate
SMILESCCCCC(F)CCCC(=O)[O-].[Na+]
InChIInChI=1S/C9H17FO2.Na/c1-2-3-5-8(10)6-4-7-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1
InChIKeyXBKFQWWJDFDDCS-UHFFFAOYSA-M
XLogP-1.56
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

calcium bis(4-fluorononanoate)
CID 101279306
sodium 4-fluoroheptanoate
CID 101279242
5-sulfanylnonanoate
CID 20837855
sodium pentadecanoate
CID 23663638
hexanoate;indium(3+);dihydroxide
CID 157267600
octadecanoate dihydroxide
CID 22409007
sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
iodanium pentanoate
CID 87769963
barium(2+);bis(pentanoate)
CID 14619942
tris(pentanoate);rhodium(3+)
CID 51036063
azanium tris(pentanoate)
CID 21124108

Frequently Asked Questions

What is the IUPAC name of sodium 5-fluorononanoate?
The IUPAC name of sodium 5-fluorononanoate (CID 101279287) is sodium 5-fluorononanoate.
What is the SMILES notation for sodium 5-fluorononanoate?
The canonical SMILES for sodium 5-fluorononanoate is CCCCC(F)CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 5-fluorononanoate?
The InChIKey is XBKFQWWJDFDDCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17FO2.Na/c1-2-3-5-8(10)6-4-7-9(11)12;/h8H,2-7H2,1H3,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 5-fluorononanoate?
sodium 5-fluorononanoate has a molecular weight of 198.21 g/mol, XLogP of -1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-fluorononanoate is sourced from PubChem (CID 101279287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).