N-bis(4-fluoroanilino)boranyl-4-fluoroaniline

C18H15BF3N3 — CID 139173825

IUPACN-bis(4-fluoroanilino)boranyl-4-fluoroaniline
SMILESFc1ccc(NB(Nc2ccc(F)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15BF3N3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12,23-25H
InChIKeyFKUBVBBQRYBBSA-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.72
Rot. Bonds6

About N-bis(4-fluoroanilino)boranyl-4-fluoroaniline

N-bis(4-fluoroanilino)boranyl-4-fluoroaniline (PubChem CID 139173825) has the molecular formula C18H15BF3N3 and a molecular weight of 341.15 g/mol. Its IUPAC name is N-bis(4-fluoroanilino)boranyl-4-fluoroaniline.

Molecular Properties

Compound NameN-bis(4-fluoroanilino)boranyl-4-fluoroaniline
PubChem CID139173825
Molecular FormulaC18H15BF3N3
Molecular Weight341.15 g/mol
Exact Mass341.13
IUPAC NameN-bis(4-fluoroanilino)boranyl-4-fluoroaniline
SMILESFc1ccc(NB(Nc2ccc(F)cc2)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H15BF3N3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12,23-25H
InChIKeyFKUBVBBQRYBBSA-UHFFFAOYSA-N
XLogP4.72
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)hydrazine;hydrate
CID 19886243
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
1,4-difluorobenzene bromide
CID 21301175
N-dimethylindiganyl-4-fluoroaniline
CID 139798759
chloromethane;(4-fluorophenyl)hydrazine
CID 158547421
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
1,1-dichloro-2-(4-fluorophenyl)hydrazine
CID 87433195
4-fluoro-N-propan-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 169440641
(4-fluoroanilino) hypochlorite
CID 23340958
4-fluoro-N-(methylaminosulfanyl)aniline
CID 145139879
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
1-(4-fluorophenyl)-2-(trifluoromethyl)hydrazine
CID 137320332

Frequently Asked Questions

What is the IUPAC name of N-bis(4-fluoroanilino)boranyl-4-fluoroaniline?
The IUPAC name of N-bis(4-fluoroanilino)boranyl-4-fluoroaniline (CID 139173825) is N-bis(4-fluoroanilino)boranyl-4-fluoroaniline.
What is the SMILES notation for N-bis(4-fluoroanilino)boranyl-4-fluoroaniline?
The canonical SMILES for N-bis(4-fluoroanilino)boranyl-4-fluoroaniline is Fc1ccc(NB(Nc2ccc(F)cc2)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-bis(4-fluoroanilino)boranyl-4-fluoroaniline?
The InChIKey is FKUBVBBQRYBBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BF3N3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12,23-25H.
What are the key properties of N-bis(4-fluoroanilino)boranyl-4-fluoroaniline?
N-bis(4-fluoroanilino)boranyl-4-fluoroaniline has a molecular weight of 341.15 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-fluoroanilino)boranyl-4-fluoroaniline is sourced from PubChem (CID 139173825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).