1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane

C9H14FN — CID 84763633

IUPAC1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane
SMILES[C-]#[N+]CCC1CCCC1CF
InChIInChI=1S/C9H14FN/c1-11-6-5-8-3-2-4-9(8)7-10/h8-9H,2-7H2
InChIKeyIJXKGGXVQZMLDE-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.68
Rot. Bonds3

About 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane

1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane (PubChem CID 84763633) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane.

Molecular Properties

Compound Name1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane
PubChem CID84763633
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane
SMILES[C-]#[N+]CCC1CCCC1CF
InChIInChI=1S/C9H14FN/c1-11-6-5-8-3-2-4-9(8)7-10/h8-9H,2-7H2
InChIKeyIJXKGGXVQZMLDE-UHFFFAOYSA-N
XLogP2.68
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.68
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 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane?
The IUPAC name of 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane (CID 84763633) is 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane.
What is the SMILES notation for 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane?
The canonical SMILES for 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane is [C-]#[N+]CCC1CCCC1CF.
What is the InChIKey of 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane?
The InChIKey is IJXKGGXVQZMLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-11-6-5-8-3-2-4-9(8)7-10/h8-9H,2-7H2.
What are the key properties of 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane?
1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane has a molecular weight of 155.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-(2-isocyanoethyl)cyclopentane is sourced from PubChem (CID 84763633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).