4,4-difluoro-1-methanidylpiperidine;scandium

C6H10F2NSc- — CID 147271375

IUPAC4,4-difluoro-1-methanidylpiperidine;scandium
SMILES[CH2-]N1CCC(F)(F)CC1.[Sc]
InChIInChI=1S/C6H10F2N.Sc/c1-9-4-2-6(7,8)3-5-9;/h1-5H2;/q-1;
InChIKeyHRKORBABAOZSOT-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.51
Rot. Bonds

About 4,4-difluoro-1-methanidylpiperidine;scandium

4,4-difluoro-1-methanidylpiperidine;scandium (PubChem CID 147271375) has the molecular formula C6H10F2NSc- and a molecular weight of 179.10 g/mol. Its IUPAC name is 4,4-difluoro-1-methanidylpiperidine;scandium.

Molecular Properties

Compound Name4,4-difluoro-1-methanidylpiperidine;scandium
PubChem CID147271375
Molecular FormulaC6H10F2NSc-
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name4,4-difluoro-1-methanidylpiperidine;scandium
SMILES[CH2-]N1CCC(F)(F)CC1.[Sc]
InChIInChI=1S/C6H10F2N.Sc/c1-9-4-2-6(7,8)3-5-9;/h1-5H2;/q-1;
InChIKeyHRKORBABAOZSOT-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methanidylpiperidine;scandium?
The IUPAC name of 4,4-difluoro-1-methanidylpiperidine;scandium (CID 147271375) is 4,4-difluoro-1-methanidylpiperidine;scandium.
What is the SMILES notation for 4,4-difluoro-1-methanidylpiperidine;scandium?
The canonical SMILES for 4,4-difluoro-1-methanidylpiperidine;scandium is [CH2-]N1CCC(F)(F)CC1.[Sc].
What is the InChIKey of 4,4-difluoro-1-methanidylpiperidine;scandium?
The InChIKey is HRKORBABAOZSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N.Sc/c1-9-4-2-6(7,8)3-5-9;/h1-5H2;/q-1;.
What are the key properties of 4,4-difluoro-1-methanidylpiperidine;scandium?
4,4-difluoro-1-methanidylpiperidine;scandium has a molecular weight of 179.10 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methanidylpiperidine;scandium is sourced from PubChem (CID 147271375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).