1-fluoro-2-(isocyanomethyl)cyclopentane

C7H10FN — CID 84762221

IUPAC1-fluoro-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1F
InChIInChI=1S/C7H10FN/c1-9-5-6-3-2-4-7(6)8/h6-7H,2-5H2
InChIKeyHHMIJNUDMJKZEE-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.04
Rot. Bonds1

About 1-fluoro-2-(isocyanomethyl)cyclopentane

1-fluoro-2-(isocyanomethyl)cyclopentane (PubChem CID 84762221) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 1-fluoro-2-(isocyanomethyl)cyclopentane.

Molecular Properties

Compound Name1-fluoro-2-(isocyanomethyl)cyclopentane
PubChem CID84762221
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name1-fluoro-2-(isocyanomethyl)cyclopentane
SMILES[C-]#[N+]CC1CCCC1F
InChIInChI=1S/C7H10FN/c1-9-5-6-3-2-4-7(6)8/h6-7H,2-5H2
InChIKeyHHMIJNUDMJKZEE-UHFFFAOYSA-N
XLogP2.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-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-fluoro-2-(isocyanomethyl)cyclopentane?
The IUPAC name of 1-fluoro-2-(isocyanomethyl)cyclopentane (CID 84762221) is 1-fluoro-2-(isocyanomethyl)cyclopentane.
What is the SMILES notation for 1-fluoro-2-(isocyanomethyl)cyclopentane?
The canonical SMILES for 1-fluoro-2-(isocyanomethyl)cyclopentane is [C-]#[N+]CC1CCCC1F.
What is the InChIKey of 1-fluoro-2-(isocyanomethyl)cyclopentane?
The InChIKey is HHMIJNUDMJKZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-9-5-6-3-2-4-7(6)8/h6-7H,2-5H2.
What are the key properties of 1-fluoro-2-(isocyanomethyl)cyclopentane?
1-fluoro-2-(isocyanomethyl)cyclopentane has a molecular weight of 127.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(isocyanomethyl)cyclopentane is sourced from PubChem (CID 84762221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).