CID 58699738

C19H26F3O2Rf2- — CID 58699738

IUPAC—
SMILESCC(C)(C)OC(=O)C1(C(F)(F)F)CC2(C)C[C-]1C1C3CCC(C3)C12.[Rf].[Rf]
InChIInChI=1S/C19H26F3O2.2Rf/c1-16(2,3)24-15(23)18(19(20,21)22)9-17(4)8-12(18)13-10-5-6-11(7-10)14(13)17;;/h10-11,13-14H,5-9H2,1-4H3;;/q-1;;
InChIKeyQZWJGDYLAMWTCG-UHFFFAOYSA-N
MW877.41 g/mol
LogP4.93
Rot. Bonds1

About CID 58699738

CID 58699738 (PubChem CID 58699738) has the molecular formula C19H26F3O2Rf2- and a molecular weight of 877.41 g/mol.

Molecular Properties

Compound NameCID 58699738
PubChem CID58699738
Molecular FormulaC19H26F3O2Rf2-
Molecular Weight877.41 g/mol
Exact Mass877.43
IUPAC Name—
SMILESCC(C)(C)OC(=O)C1(C(F)(F)F)CC2(C)C[C-]1C1C3CCC(C3)C12.[Rf].[Rf]
InChIInChI=1S/C19H26F3O2.2Rf/c1-16(2,3)24-15(23)18(19(20,21)22)9-17(4)8-12(18)13-10-5-6-11(7-10)14(13)17;;/h10-11,13-14H,5-9H2,1-4H3;;/q-1;;
InChIKeyQZWJGDYLAMWTCG-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500877.41
LogP ≤ 54.93
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 58699738?
The IUPAC name of CID 58699738 (CID 58699738) is not available.
What is the SMILES notation for CID 58699738?
The canonical SMILES for CID 58699738 is CC(C)(C)OC(=O)C1(C(F)(F)F)CC2(C)C[C-]1C1C3CCC(C3)C12.[Rf].[Rf].
What is the InChIKey of CID 58699738?
The InChIKey is QZWJGDYLAMWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3O2.2Rf/c1-16(2,3)24-15(23)18(19(20,21)22)9-17(4)8-12(18)13-10-5-6-11(7-10)14(13)17;;/h10-11,13-14H,5-9H2,1-4H3;;/q-1;;.
What are the key properties of CID 58699738?
CID 58699738 has a molecular weight of 877.41 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699738 is sourced from PubChem (CID 58699738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).