(4-fluorophenyl) thiocyanate

C7H4FNS — CID 15503803

IUPAC(4-fluorophenyl) thiocyanate
SMILESN#CSc1ccc(F)cc1
InChIInChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H
InChIKeyYGVWLZJCSLCIKZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.40
Rot. Bonds1

About (4-fluorophenyl) thiocyanate

(4-fluorophenyl) thiocyanate (PubChem CID 15503803) has the molecular formula C7H4FNS and a molecular weight of 153.18 g/mol. Its IUPAC name is (4-fluorophenyl) thiocyanate.

Molecular Properties

Compound Name(4-fluorophenyl) thiocyanate
PubChem CID15503803
Molecular FormulaC7H4FNS
Molecular Weight153.18 g/mol
Exact Mass153.00
IUPAC Name(4-fluorophenyl) thiocyanate
SMILESN#CSc1ccc(F)cc1
InChIInChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H
InChIKeyYGVWLZJCSLCIKZ-UHFFFAOYSA-N
XLogP2.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) thiocyanate?
The IUPAC name of (4-fluorophenyl) thiocyanate (CID 15503803) is (4-fluorophenyl) thiocyanate.
What is the SMILES notation for (4-fluorophenyl) thiocyanate?
The canonical SMILES for (4-fluorophenyl) thiocyanate is N#CSc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) thiocyanate?
The InChIKey is YGVWLZJCSLCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H.
What are the key properties of (4-fluorophenyl) thiocyanate?
(4-fluorophenyl) thiocyanate has a molecular weight of 153.18 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) thiocyanate is sourced from PubChem (CID 15503803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).