CID 153435657

C4H5BF2N2 — CID 153435657

IUPAC—
SMILES[B]C(=C/N)/C=N/C(F)F
InChIInChI=1S/C4H5BF2N2/c5-3(1-8)2-9-4(6)7/h1-2,4H,8H2/b3-1+,9-2+
InChIKeyZEAXXTJNMQMSPC-CDAHLJEYSA-N
MW129.91 g/mol
LogP0.25
Rot. Bonds2

About CID 153435657

CID 153435657 (PubChem CID 153435657) has the molecular formula C4H5BF2N2 and a molecular weight of 129.91 g/mol.

Molecular Properties

Compound NameCID 153435657
PubChem CID153435657
Molecular FormulaC4H5BF2N2
Molecular Weight129.91 g/mol
Exact Mass130.05
IUPAC Name—
SMILES[B]C(=C/N)/C=N/C(F)F
InChIInChI=1S/C4H5BF2N2/c5-3(1-8)2-9-4(6)7/h1-2,4H,8H2/b3-1+,9-2+
InChIKeyZEAXXTJNMQMSPC-CDAHLJEYSA-N
XLogP0.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.91
LogP ≤ 50.25
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-2-fluoro-3-methyliminoprop-1-en-1-amine
CID 87688897
(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
CID 126747074
2-Fluoro-3-methyliminoprop-1-en-1-amine
CID 147359228
CID 153394121
CID 153394121
2-Iodo-3-(2,2,2-trifluoroethylimino)prop-1-en-1-amine
CID 157735360
(E)-3-(2,2-difluoroethylimino)-2-fluoroprop-1-en-1-amine
CID 171503795
3-(2,2-Difluoroethylimino)-2-iodoprop-1-en-1-amine
CID 173981426
CID 161860943
CID 161860943
CID 154516807
CID 154516807
CID 143276866
CID 143276866

Frequently Asked Questions

What is the IUPAC name of CID 153435657?
The IUPAC name of CID 153435657 (CID 153435657) is not available.
What is the SMILES notation for CID 153435657?
The canonical SMILES for CID 153435657 is [B]C(=C/N)/C=N/C(F)F.
What is the InChIKey of CID 153435657?
The InChIKey is ZEAXXTJNMQMSPC-CDAHLJEYSA-N. The full InChI is InChI=1S/C4H5BF2N2/c5-3(1-8)2-9-4(6)7/h1-2,4H,8H2/b3-1+,9-2+.
What are the key properties of CID 153435657?
CID 153435657 has a molecular weight of 129.91 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153435657 is sourced from PubChem (CID 153435657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).