CID 174297388

C4H8BF2N2O2 — CID 174297388

IUPAC—
SMILESCON=C(C)C=NO.F[B]F
InChIInChI=1S/C4H8N2O2.BF2/c1-4(3-5-7)6-8-2;2-1-3/h3,7H,1-2H3;
InChIKeyIVAKXRSQIRILQO-UHFFFAOYSA-N
MW164.93 g/mol
LogP0.93
Rot. Bonds2

About CID 174297388

CID 174297388 (PubChem CID 174297388) has the molecular formula C4H8BF2N2O2 and a molecular weight of 164.93 g/mol.

Molecular Properties

Compound NameCID 174297388
PubChem CID174297388
Molecular FormulaC4H8BF2N2O2
Molecular Weight164.93 g/mol
Exact Mass165.06
IUPAC Name—
SMILESCON=C(C)C=NO.F[B]F
InChIInChI=1S/C4H8N2O2.BF2/c1-4(3-5-7)6-8-2;2-1-3/h3,7H,1-2H3;
InChIKeyIVAKXRSQIRILQO-UHFFFAOYSA-N
XLogP0.93
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.93
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

chromium;N-(2-methoxyiminopropylidene)hydroxylamine
CID 174360652
CID 173271902
CID 173271902
(NE)-N-[(1Z)-1-hydroxyiminopropan-2-ylidene]hydroxylamine
CID 135538356
N-(1-hydroxyiminopropan-2-ylidene)hydroxylamine;nickel
CID 161461506
(E)-N-methoxybut-3-en-2-imine
CID 142905738
(NE)-N-[2-[3-[[(1E)-1-hydroxyiminopropan-2-ylidene]amino]propylimino]propylidene]hydroxylamine
CID 177464159
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)
CID 172954181
[(1-fluoro-2-hydroxyiminoethylidene)amino] hypofluorite
CID 173303975
[3-(3-methoxyiminobut-1-enyl)-2,2-dimethylcyclopropyl] formate
CID 173397512
N-hydroxymethanimidoyl fluoride
CID 101117108
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305

Frequently Asked Questions

What is the IUPAC name of CID 174297388?
The IUPAC name of CID 174297388 (CID 174297388) is not available.
What is the SMILES notation for CID 174297388?
The canonical SMILES for CID 174297388 is CON=C(C)C=NO.F[B]F.
What is the InChIKey of CID 174297388?
The InChIKey is IVAKXRSQIRILQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.BF2/c1-4(3-5-7)6-8-2;2-1-3/h3,7H,1-2H3;.
What are the key properties of CID 174297388?
CID 174297388 has a molecular weight of 164.93 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174297388 is sourced from PubChem (CID 174297388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).