4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile

C10H9FN2O — CID 10821562

IUPAC4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile
SMILESCC(C)=NOc1cc(F)ccc1C#N
InChIInChI=1S/C10H9FN2O/c1-7(2)13-14-10-5-9(11)4-3-8(10)6-12/h3-5H,1-2H3
InChIKeyVCFOOUZZJNBMTJ-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.47
Rot. Bonds2

About 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile

4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile (PubChem CID 10821562) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile.

Molecular Properties

Compound Name4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile
PubChem CID10821562
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile
SMILESCC(C)=NOc1cc(F)ccc1C#N
InChIInChI=1S/C10H9FN2O/c1-7(2)13-14-10-5-9(11)4-3-8(10)6-12/h3-5H,1-2H3
InChIKeyVCFOOUZZJNBMTJ-UHFFFAOYSA-N
XLogP2.47
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile?
The IUPAC name of 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile (CID 10821562) is 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile.
What is the SMILES notation for 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile?
The canonical SMILES for 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile is CC(C)=NOc1cc(F)ccc1C#N.
What is the InChIKey of 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile?
The InChIKey is VCFOOUZZJNBMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7(2)13-14-10-5-9(11)4-3-8(10)6-12/h3-5H,1-2H3.
What are the key properties of 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile?
4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile has a molecular weight of 192.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(propan-2-ylideneamino)oxybenzonitrile is sourced from PubChem (CID 10821562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).