1-fluoro-3-isocyanato-2-methylcyclopentene

C7H8FNO — CID 118540399

IUPAC1-fluoro-3-isocyanato-2-methylcyclopentene
SMILESCC1=C(F)CCC1N=C=O
InChIInChI=1S/C7H8FNO/c1-5-6(8)2-3-7(5)9-4-10/h7H,2-3H2,1H3
InChIKeyASGIGVNHVQDEFM-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.73
Rot. Bonds1

About 1-fluoro-3-isocyanato-2-methylcyclopentene

1-fluoro-3-isocyanato-2-methylcyclopentene (PubChem CID 118540399) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-fluoro-3-isocyanato-2-methylcyclopentene.

Molecular Properties

Compound Name1-fluoro-3-isocyanato-2-methylcyclopentene
PubChem CID118540399
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name1-fluoro-3-isocyanato-2-methylcyclopentene
SMILESCC1=C(F)CCC1N=C=O
InChIInChI=1S/C7H8FNO/c1-5-6(8)2-3-7(5)9-4-10/h7H,2-3H2,1H3
InChIKeyASGIGVNHVQDEFM-UHFFFAOYSA-N
XLogP1.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 1-fluoro-3-isocyanato-2-methylcyclopentene 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-3-isocyanato-2-methylcyclopentene?
The IUPAC name of 1-fluoro-3-isocyanato-2-methylcyclopentene (CID 118540399) is 1-fluoro-3-isocyanato-2-methylcyclopentene.
What is the SMILES notation for 1-fluoro-3-isocyanato-2-methylcyclopentene?
The canonical SMILES for 1-fluoro-3-isocyanato-2-methylcyclopentene is CC1=C(F)CCC1N=C=O.
What is the InChIKey of 1-fluoro-3-isocyanato-2-methylcyclopentene?
The InChIKey is ASGIGVNHVQDEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-5-6(8)2-3-7(5)9-4-10/h7H,2-3H2,1H3.
What are the key properties of 1-fluoro-3-isocyanato-2-methylcyclopentene?
1-fluoro-3-isocyanato-2-methylcyclopentene has a molecular weight of 141.14 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-isocyanato-2-methylcyclopentene is sourced from PubChem (CID 118540399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).