6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium

C9H16F3ORf- — CID 58766550

IUPAC6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
SMILES[CH2-]C(CCCCOCC)C(F)(F)F.[Rf]
InChIInChI=1S/C9H16F3O.Rf/c1-3-13-7-5-4-6-8(2)9(10,11)12;/h8H,2-7H2,1H3;/q-1;
InChIKeyRLCHYLMIPZXZMH-UHFFFAOYSA-N
MW464.22 g/mol
LogP3.21
Rot. Bonds6

About 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium

6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium (PubChem CID 58766550) has the molecular formula C9H16F3ORf- and a molecular weight of 464.22 g/mol. Its IUPAC name is 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium.

Molecular Properties

Compound Name6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
PubChem CID58766550
Molecular FormulaC9H16F3ORf-
Molecular Weight464.22 g/mol
Exact Mass464.24
IUPAC Name6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
SMILES[CH2-]C(CCCCOCC)C(F)(F)F.[Rf]
InChIInChI=1S/C9H16F3O.Rf/c1-3-13-7-5-4-6-8(2)9(10,11)12;/h8H,2-7H2,1H3;/q-1;
InChIKeyRLCHYLMIPZXZMH-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium?
The IUPAC name of 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium (CID 58766550) is 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium.
What is the SMILES notation for 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium?
The canonical SMILES for 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium is [CH2-]C(CCCCOCC)C(F)(F)F.[Rf].
What is the InChIKey of 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium?
The InChIKey is RLCHYLMIPZXZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3O.Rf/c1-3-13-7-5-4-6-8(2)9(10,11)12;/h8H,2-7H2,1H3;/q-1;.
What are the key properties of 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium?
6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium has a molecular weight of 464.22 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium is sourced from PubChem (CID 58766550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).