(4-cyanophenyl)-trifluoroboranuide

C7H4BF3N- — CID 2782893

IUPAC(4-cyanophenyl)-trifluoroboranuide
SMILESN#Cc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C7H4BF3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H/q-1
InChIKeyRUCMTIHUXCLGML-UHFFFAOYSA-N
MW169.92 g/mol
LogP1.61
Rot. Bonds1

About (4-cyanophenyl)-trifluoroboranuide

(4-cyanophenyl)-trifluoroboranuide (PubChem CID 2782893) has the molecular formula C7H4BF3N- and a molecular weight of 169.92 g/mol. Its IUPAC name is (4-cyanophenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(4-cyanophenyl)-trifluoroboranuide
PubChem CID2782893
Molecular FormulaC7H4BF3N-
Molecular Weight169.92 g/mol
Exact Mass170.04
IUPAC Name(4-cyanophenyl)-trifluoroboranuide
SMILESN#Cc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C7H4BF3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H/q-1
InChIKeyRUCMTIHUXCLGML-UHFFFAOYSA-N
XLogP1.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium (4-cyanophenyl)-trifluoroboranuide
CID 23716872
azane;benzene-1,4-dicarbonitrile
CID 174336566
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
azulene-6-carbonitrile
CID 91533837
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
(4-cyano-3-hydroxyphenyl)-trifluoroboranuide
CID 165488033
potassium (5-cyano-3-pyridinyl)-trifluoroboranuide
CID 57416942
4-amino(13C)benzonitrile
CID 10080388
CID 139265768
CID 139265768
4-hydroxybenzonitrile
CID 53435365
4-[4-[1-(4-cyanophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzonitrile ditetrafluoroborate
CID 18319367

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)-trifluoroboranuide?
The IUPAC name of (4-cyanophenyl)-trifluoroboranuide (CID 2782893) is (4-cyanophenyl)-trifluoroboranuide.
What is the SMILES notation for (4-cyanophenyl)-trifluoroboranuide?
The canonical SMILES for (4-cyanophenyl)-trifluoroboranuide is N#Cc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of (4-cyanophenyl)-trifluoroboranuide?
The InChIKey is RUCMTIHUXCLGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BF3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H/q-1.
What are the key properties of (4-cyanophenyl)-trifluoroboranuide?
(4-cyanophenyl)-trifluoroboranuide has a molecular weight of 169.92 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)-trifluoroboranuide is sourced from PubChem (CID 2782893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).