1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane

C8H12FN — CID 84762662

IUPAC1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1CF
InChIInChI=1S/C8H12FN/c1-10-6-8-4-2-3-7(8)5-9/h7-8H,2-6H2
InChIKeyVQOHOSBDXOVFPG-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.29
Rot. Bonds2

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

1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane (PubChem CID 84762662) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane.

Molecular Properties

Compound Name1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane
PubChem CID84762662
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1CF
InChIInChI=1S/C8H12FN/c1-10-6-8-4-2-3-7(8)5-9/h7-8H,2-6H2
InChIKeyVQOHOSBDXOVFPG-UHFFFAOYSA-N
XLogP2.29
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane?
The IUPAC name of 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane (CID 84762662) is 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane.
What is the SMILES notation for 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane?
The canonical SMILES for 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane is [C-]#[N+]CC1CCCC1CF.
What is the InChIKey of 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane?
The InChIKey is VQOHOSBDXOVFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-10-6-8-4-2-3-7(8)5-9/h7-8H,2-6H2.
What are the key properties of 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane?
1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane has a molecular weight of 141.19 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2-(isocyanomethyl)cyclopentane is sourced from PubChem (CID 84762662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).