CID 58699639

C15H18F4ORf5-2 — CID 58699639

IUPAC—
SMILESO[C-](CC1(F)[CH-]C2CC1C1C3CCC(C3)C21)C(F)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C15H18F4O.5Rf/c16-14(6-11(20)15(17,18)19)5-9-4-10(14)13-8-2-1-7(3-8)12(9)13;;;;;/h5,7-10,12-13,20H,1-4,6H2;;;;;/q-2;;;;;
InChIKeyKRSUBHXPEACDIU-UHFFFAOYSA-N
MW1625.30 g/mol
LogP4.07
Rot. Bonds2

About CID 58699639

CID 58699639 (PubChem CID 58699639) has the molecular formula C15H18F4ORf5-2 and a molecular weight of 1625.30 g/mol.

Molecular Properties

Compound NameCID 58699639
PubChem CID58699639
Molecular FormulaC15H18F4ORf5-2
Molecular Weight1625.30 g/mol
Exact Mass1625.74
IUPAC Name—
SMILESO[C-](CC1(F)[CH-]C2CC1C1C3CCC(C3)C21)C(F)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C15H18F4O.5Rf/c16-14(6-11(20)15(17,18)19)5-9-4-10(14)13-8-2-1-7(3-8)12(9)13;;;;;/h5,7-10,12-13,20H,1-4,6H2;;;;;/q-2;;;;;
InChIKeyKRSUBHXPEACDIU-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001625.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58699639?
The IUPAC name of CID 58699639 (CID 58699639) is not available.
What is the SMILES notation for CID 58699639?
The canonical SMILES for CID 58699639 is O[C-](CC1(F)[CH-]C2CC1C1C3CCC(C3)C21)C(F)(F)F.[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of CID 58699639?
The InChIKey is KRSUBHXPEACDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O.5Rf/c16-14(6-11(20)15(17,18)19)5-9-4-10(14)13-8-2-1-7(3-8)12(9)13;;;;;/h5,7-10,12-13,20H,1-4,6H2;;;;;/q-2;;;;;.
What are the key properties of CID 58699639?
CID 58699639 has a molecular weight of 1625.30 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699639 is sourced from PubChem (CID 58699639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).