CID 175824011

C8H3F13NaO3 — CID 175824011

IUPAC—
SMILESOC(F)(F)C1(C(F)(F)C(F)F)OC(F)(F)C(F)(C(F)(F)C(F)F)O1.[Na]
InChIInChI=1S/C8H3F13O3.Na/c9-1(10)3(13,14)5(17)8(20,21)24-6(23-5,7(18,19)22)4(15,16)2(11)12;/h1-2,22H;
InChIKeyUGKURGRBNOXDIE-UHFFFAOYSA-N
MW417.07 g/mol
LogP2.99
Rot. Bonds5

About CID 175824011

CID 175824011 (PubChem CID 175824011) has the molecular formula C8H3F13NaO3 and a molecular weight of 417.07 g/mol.

Molecular Properties

Compound NameCID 175824011
PubChem CID175824011
Molecular FormulaC8H3F13NaO3
Molecular Weight417.07 g/mol
Exact Mass416.98
IUPAC Name—
SMILESOC(F)(F)C1(C(F)(F)C(F)F)OC(F)(F)C(F)(C(F)(F)C(F)F)O1.[Na]
InChIInChI=1S/C8H3F13O3.Na/c9-1(10)3(13,14)5(17)8(20,21)24-6(23-5,7(18,19)22)4(15,16)2(11)12;/h1-2,22H;
InChIKeyUGKURGRBNOXDIE-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175824011?
The IUPAC name of CID 175824011 (CID 175824011) is not available.
What is the SMILES notation for CID 175824011?
The canonical SMILES for CID 175824011 is OC(F)(F)C1(C(F)(F)C(F)F)OC(F)(F)C(F)(C(F)(F)C(F)F)O1.[Na].
What is the InChIKey of CID 175824011?
The InChIKey is UGKURGRBNOXDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O3.Na/c9-1(10)3(13,14)5(17)8(20,21)24-6(23-5,7(18,19)22)4(15,16)2(11)12;/h1-2,22H;.
What are the key properties of CID 175824011?
CID 175824011 has a molecular weight of 417.07 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175824011 is sourced from PubChem (CID 175824011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).