[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide

C18H11FN4 — CID 89039520

IUPAC[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide
SMILESCc1ccc2c(c1)/C(=N\C#N)c1ccc(CF)cc1/C2=N/C#N
InChIInChI=1S/C18H11FN4/c1-11-2-4-13-15(6-11)17(22-9-20)14-5-3-12(8-19)7-16(14)18(13)23-10-21/h2-7H,8H2,1H3/b22-17-,23-18+
InChIKeyYEHIGWZKENOFKP-VAZBSYMYSA-N
MW302.31 g/mol
LogP3.41
Rot. Bonds1

About [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide

[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide (PubChem CID 89039520) has the molecular formula C18H11FN4 and a molecular weight of 302.31 g/mol. Its IUPAC name is [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide.

Molecular Properties

Compound Name[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide
PubChem CID89039520
Molecular FormulaC18H11FN4
Molecular Weight302.31 g/mol
Exact Mass302.10
IUPAC Name[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide
SMILESCc1ccc2c(c1)/C(=N\C#N)c1ccc(CF)cc1/C2=N/C#N
InChIInChI=1S/C18H11FN4/c1-11-2-4-13-15(6-11)17(22-9-20)14-5-3-12(8-19)7-16(14)18(13)23-10-21/h2-7H,8H2,1H3/b22-17-,23-18+
InChIKeyYEHIGWZKENOFKP-VAZBSYMYSA-N
XLogP3.41
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide?
The IUPAC name of [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide (CID 89039520) is [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide.
What is the SMILES notation for [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide?
The canonical SMILES for [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide is Cc1ccc2c(c1)/C(=N\C#N)c1ccc(CF)cc1/C2=N/C#N.
What is the InChIKey of [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide?
The InChIKey is YEHIGWZKENOFKP-VAZBSYMYSA-N. The full InChI is InChI=1S/C18H11FN4/c1-11-2-4-13-15(6-11)17(22-9-20)14-5-3-12(8-19)7-16(14)18(13)23-10-21/h2-7H,8H2,1H3/b22-17-,23-18+.
What are the key properties of [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide?
[10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide has a molecular weight of 302.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-cyanoimino-2-(fluoromethyl)-6-methylanthracen-9-ylidene]cyanamide is sourced from PubChem (CID 89039520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).