2-fluoroanthracene-1-carbonitrile

C15H8FN — CID 88757615

IUPAC2-fluoroanthracene-1-carbonitrile
SMILESN#Cc1c(F)ccc2cc3ccccc3cc12
InChIInChI=1S/C15H8FN/c16-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)14(15)9-17/h1-8H
InChIKeyVEVFHMACEBVGIM-UHFFFAOYSA-N
MW221.23 g/mol
LogP4.00
Rot. Bonds

About 2-fluoroanthracene-1-carbonitrile

2-fluoroanthracene-1-carbonitrile (PubChem CID 88757615) has the molecular formula C15H8FN and a molecular weight of 221.23 g/mol. Its IUPAC name is 2-fluoroanthracene-1-carbonitrile.

Molecular Properties

Compound Name2-fluoroanthracene-1-carbonitrile
PubChem CID88757615
Molecular FormulaC15H8FN
Molecular Weight221.23 g/mol
Exact Mass221.06
IUPAC Name2-fluoroanthracene-1-carbonitrile
SMILESN#Cc1c(F)ccc2cc3ccccc3cc12
InChIInChI=1S/C15H8FN/c16-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)14(15)9-17/h1-8H
InChIKeyVEVFHMACEBVGIM-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methylanthracene-1-carbonitrile
CID 22743920
anthracene-2,9-dicarbonitrile
CID 22395387
2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-aminoanthracene-9-carbonitrile
CID 23131319
anthracene-1-carbonitrile
CID 3036603
2-chlorobenzo[a]anthracene
CID 23367240
3-fluoronaphthalene-2-carbonitrile
CID 53485645
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
hexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(26),2,4,6,8,10,12(17),13,15,18,20,22,24-tridecaene-14,15-dicarbonitrile
CID 139436117
2-fluoroanthracene-1-sulfonic acid
CID 23054293
1-phenylanthracene-2-carbonitrile
CID 175261517
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of 2-fluoroanthracene-1-carbonitrile?
The IUPAC name of 2-fluoroanthracene-1-carbonitrile (CID 88757615) is 2-fluoroanthracene-1-carbonitrile.
What is the SMILES notation for 2-fluoroanthracene-1-carbonitrile?
The canonical SMILES for 2-fluoroanthracene-1-carbonitrile is N#Cc1c(F)ccc2cc3ccccc3cc12.
What is the InChIKey of 2-fluoroanthracene-1-carbonitrile?
The InChIKey is VEVFHMACEBVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN/c16-15-6-5-12-7-10-3-1-2-4-11(10)8-13(12)14(15)9-17/h1-8H.
What are the key properties of 2-fluoroanthracene-1-carbonitrile?
2-fluoroanthracene-1-carbonitrile has a molecular weight of 221.23 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroanthracene-1-carbonitrile is sourced from PubChem (CID 88757615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).