CID 58699663

C18H24F3O2Rf4- — CID 58699663

IUPAC—
SMILESCC(C)(C)OC(=O)C1(C(F)(F)F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C18H24F3O2.4Rf/c1-16(2,3)23-15(22)17(18(19,20)21)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;
InChIKeyYDEWOUNXETUHKK-UHFFFAOYSA-N
MW1397.38 g/mol
LogP4.39
Rot. Bonds1

About CID 58699663

CID 58699663 (PubChem CID 58699663) has the molecular formula C18H24F3O2Rf4- and a molecular weight of 1397.38 g/mol.

Molecular Properties

Compound NameCID 58699663
PubChem CID58699663
Molecular FormulaC18H24F3O2Rf4-
Molecular Weight1397.38 g/mol
Exact Mass1397.66
IUPAC Name—
SMILESCC(C)(C)OC(=O)C1(C(F)(F)F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C18H24F3O2.4Rf/c1-16(2,3)23-15(22)17(18(19,20)21)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;
InChIKeyYDEWOUNXETUHKK-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001397.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 58699663?
The IUPAC name of CID 58699663 (CID 58699663) is not available.
What is the SMILES notation for CID 58699663?
The canonical SMILES for CID 58699663 is CC(C)(C)OC(=O)C1(C(F)(F)F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of CID 58699663?
The InChIKey is YDEWOUNXETUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3O2.4Rf/c1-16(2,3)23-15(22)17(18(19,20)21)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;.
What are the key properties of CID 58699663?
CID 58699663 has a molecular weight of 1397.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699663 is sourced from PubChem (CID 58699663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).