carbanide;1-fluoro-4-methanidylcyclohexane;yttrium

C8H15FY-2 — CID 59783870

IUPACcarbanide;1-fluoro-4-methanidylcyclohexane;yttrium
SMILES[CH2-]C1CCC(F)CC1.[CH3-].[Y]
InChIInChI=1S/C7H12F.CH3.Y/c1-6-2-4-7(8)5-3-6;;/h6-7H,1-5H2;1H3;/q2*-1;
InChIKeyBHCJGZPZIXRDJT-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.80
Rot. Bonds

About carbanide;1-fluoro-4-methanidylcyclohexane;yttrium

carbanide;1-fluoro-4-methanidylcyclohexane;yttrium (PubChem CID 59783870) has the molecular formula C8H15FY-2 and a molecular weight of 219.11 g/mol. Its IUPAC name is carbanide;1-fluoro-4-methanidylcyclohexane;yttrium.

Molecular Properties

Compound Namecarbanide;1-fluoro-4-methanidylcyclohexane;yttrium
PubChem CID59783870
Molecular FormulaC8H15FY-2
Molecular Weight219.11 g/mol
Exact Mass219.02
IUPAC Namecarbanide;1-fluoro-4-methanidylcyclohexane;yttrium
SMILES[CH2-]C1CCC(F)CC1.[CH3-].[Y]
InChIInChI=1S/C7H12F.CH3.Y/c1-6-2-4-7(8)5-3-6;;/h6-7H,1-5H2;1H3;/q2*-1;
InChIKeyBHCJGZPZIXRDJT-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 carbanide;1-fluoro-4-methanidylcyclohexane;yttrium?
The IUPAC name of carbanide;1-fluoro-4-methanidylcyclohexane;yttrium (CID 59783870) is carbanide;1-fluoro-4-methanidylcyclohexane;yttrium.
What is the SMILES notation for carbanide;1-fluoro-4-methanidylcyclohexane;yttrium?
The canonical SMILES for carbanide;1-fluoro-4-methanidylcyclohexane;yttrium is [CH2-]C1CCC(F)CC1.[CH3-].[Y].
What is the InChIKey of carbanide;1-fluoro-4-methanidylcyclohexane;yttrium?
The InChIKey is BHCJGZPZIXRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F.CH3.Y/c1-6-2-4-7(8)5-3-6;;/h6-7H,1-5H2;1H3;/q2*-1;.
What are the key properties of carbanide;1-fluoro-4-methanidylcyclohexane;yttrium?
carbanide;1-fluoro-4-methanidylcyclohexane;yttrium has a molecular weight of 219.11 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-fluoro-4-methanidylcyclohexane;yttrium is sourced from PubChem (CID 59783870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).