2-[fluoro(isocyano)methyl]thiophene

C6H4FNS — CID 134835770

IUPAC2-[fluoro(isocyano)methyl]thiophene
SMILES[C-]#[N+]C(F)c1cccs1
InChIInChI=1S/C6H4FNS/c1-8-6(7)5-3-2-4-9-5/h2-4,6H
InChIKeyJUUHKHYAFZWEMM-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.64
Rot. Bonds1

About 2-[fluoro(isocyano)methyl]thiophene

2-[fluoro(isocyano)methyl]thiophene (PubChem CID 134835770) has the molecular formula C6H4FNS and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[fluoro(isocyano)methyl]thiophene.

Molecular Properties

Compound Name2-[fluoro(isocyano)methyl]thiophene
PubChem CID134835770
Molecular FormulaC6H4FNS
Molecular Weight141.17 g/mol
Exact Mass141.00
IUPAC Name2-[fluoro(isocyano)methyl]thiophene
SMILES[C-]#[N+]C(F)c1cccs1
InChIInChI=1S/C6H4FNS/c1-8-6(7)5-3-2-4-9-5/h2-4,6H
InChIKeyJUUHKHYAFZWEMM-UHFFFAOYSA-N
XLogP2.64
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(isocyano)methyl]thiophene?
The IUPAC name of 2-[fluoro(isocyano)methyl]thiophene (CID 134835770) is 2-[fluoro(isocyano)methyl]thiophene.
What is the SMILES notation for 2-[fluoro(isocyano)methyl]thiophene?
The canonical SMILES for 2-[fluoro(isocyano)methyl]thiophene is [C-]#[N+]C(F)c1cccs1.
What is the InChIKey of 2-[fluoro(isocyano)methyl]thiophene?
The InChIKey is JUUHKHYAFZWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNS/c1-8-6(7)5-3-2-4-9-5/h2-4,6H.
What are the key properties of 2-[fluoro(isocyano)methyl]thiophene?
2-[fluoro(isocyano)methyl]thiophene has a molecular weight of 141.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(isocyano)methyl]thiophene is sourced from PubChem (CID 134835770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).