trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide

C13H10BF4N2- — CID 169384176

IUPACtrifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H10BF4N2/c15-11-6-7-13(14(16,17)18)10(8-11)9-19-20-12-4-2-1-3-5-12/h1-9,20H/q-1
InChIKeyDBZFBPGJBYMRGM-UHFFFAOYSA-N
MW281.04 g/mol
LogP3.33
Rot. Bonds4

About trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide

trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide (PubChem CID 169384176) has the molecular formula C13H10BF4N2- and a molecular weight of 281.04 g/mol. Its IUPAC name is trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
PubChem CID169384176
Molecular FormulaC13H10BF4N2-
Molecular Weight281.04 g/mol
Exact Mass281.09
IUPAC Nametrifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide
SMILESFc1ccc([B-](F)(F)F)c(C=NNc2ccccc2)c1
InChIInChI=1S/C13H10BF4N2/c15-11-6-7-13(14(16,17)18)10(8-11)9-19-20-12-4-2-1-3-5-12/h1-9,20H/q-1
InChIKeyDBZFBPGJBYMRGM-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(2-bromo-4-fluorophenyl)methylideneamino]aniline
CID 169381492
N-[(2,3,5-trifluorophenyl)methylideneamino]aniline
CID 169381722
N-[(2,3-dibromo-5-fluorophenyl)methylideneamino]aniline
CID 169383720
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(2-fluoro-5-methylphenyl)methylideneamino]aniline
CID 169381612
N-[[4-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382104
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382696
N-[(3-bromo-5-tert-butyl-2-fluorophenyl)methylideneamino]aniline
CID 169382608
4-fluoro-N-(naphthalen-1-ylmethylideneamino)aniline
CID 78597503

Frequently Asked Questions

What is the IUPAC name of trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide?
The IUPAC name of trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide (CID 169384176) is trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide.
What is the SMILES notation for trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide?
The canonical SMILES for trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide is Fc1ccc([B-](F)(F)F)c(C=NNc2ccccc2)c1.
What is the InChIKey of trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide?
The InChIKey is DBZFBPGJBYMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BF4N2/c15-11-6-7-13(14(16,17)18)10(8-11)9-19-20-12-4-2-1-3-5-12/h1-9,20H/q-1.
What are the key properties of trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide?
trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide has a molecular weight of 281.04 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[4-fluoro-2-[(phenylhydrazinylidene)methyl]phenyl]boranuide is sourced from PubChem (CID 169384176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).