CID 162322327

C15H5F17NaO — CID 162322327

IUPAC—
SMILESFC(Oc1ccccc1)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na]
InChIInChI=1S/C15H5F17O.Na/c16-7(8(17)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h1-5H;
InChIKeyARLDCIBOPVJRPE-UHFFFAOYSA-N
MW547.16 g/mol
LogP7.17
Rot. Bonds8

About CID 162322327

CID 162322327 (PubChem CID 162322327) has the molecular formula C15H5F17NaO and a molecular weight of 547.16 g/mol.

Molecular Properties

Compound NameCID 162322327
PubChem CID162322327
Molecular FormulaC15H5F17NaO
Molecular Weight547.16 g/mol
Exact Mass547.00
IUPAC Name—
SMILESFC(Oc1ccccc1)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na]
InChIInChI=1S/C15H5F17O.Na/c16-7(8(17)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h1-5H;
InChIKeyARLDCIBOPVJRPE-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.16
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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sodium 4-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy]benzenesulfonate
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sodium 2-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooct-1-enoxy)benzenesulfonate
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2-(1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enoxy)benzenesulfonic acid
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3-bromo-5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)aniline
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Frequently Asked Questions

What is the IUPAC name of CID 162322327?
The IUPAC name of CID 162322327 (CID 162322327) is not available.
What is the SMILES notation for CID 162322327?
The canonical SMILES for CID 162322327 is FC(Oc1ccccc1)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na].
What is the InChIKey of CID 162322327?
The InChIKey is ARLDCIBOPVJRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F17O.Na/c16-7(8(17)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h1-5H;.
What are the key properties of CID 162322327?
CID 162322327 has a molecular weight of 547.16 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162322327 is sourced from PubChem (CID 162322327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).