(4-fluorophenyl)cyanamide

C7H5FN2 — CID 585887

IUPAC(4-fluorophenyl)cyanamide
SMILESN#CNc1ccc(F)cc1
InChIInChI=1S/C7H5FN2/c8-6-1-3-7(4-2-6)10-5-9/h1-4,10H
InChIKeyLIBMQHFYQQYKQQ-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.72
Rot. Bonds1

About (4-fluorophenyl)cyanamide

(4-fluorophenyl)cyanamide (PubChem CID 585887) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is (4-fluorophenyl)cyanamide.

Molecular Properties

Compound Name(4-fluorophenyl)cyanamide
PubChem CID585887
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name(4-fluorophenyl)cyanamide
SMILESN#CNc1ccc(F)cc1
InChIInChI=1S/C7H5FN2/c8-6-1-3-7(4-2-6)10-5-9/h1-4,10H
InChIKeyLIBMQHFYQQYKQQ-UHFFFAOYSA-N
XLogP1.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)cyanamide?
The IUPAC name of (4-fluorophenyl)cyanamide (CID 585887) is (4-fluorophenyl)cyanamide.
What is the SMILES notation for (4-fluorophenyl)cyanamide?
The canonical SMILES for (4-fluorophenyl)cyanamide is N#CNc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)cyanamide?
The InChIKey is LIBMQHFYQQYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-6-1-3-7(4-2-6)10-5-9/h1-4,10H.
What are the key properties of (4-fluorophenyl)cyanamide?
(4-fluorophenyl)cyanamide has a molecular weight of 136.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)cyanamide is sourced from PubChem (CID 585887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).