acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine

C15H20FNO4 — CID 88834966

IUPACacetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine
SMILESCC(=O)O.COC1(c2ccc(F)cc2)CCC(=NO)CC1
InChIInChI=1S/C13H16FNO2.C2H4O2/c1-17-13(8-6-12(15-16)7-9-13)10-2-4-11(14)5-3-10;1-2(3)4/h2-5,16H,6-9H2,1H3;1H3,(H,3,4)/b15-12-;
InChIKeyXGGZOYWEFVIESB-OBBOLZQKSA-N
MW297.33 g/mol
LogP3.16
Rot. Bonds2

About acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine

acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine (PubChem CID 88834966) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine
PubChem CID88834966
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Nameacetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine
SMILESCC(=O)O.COC1(c2ccc(F)cc2)CCC(=NO)CC1
InChIInChI=1S/C13H16FNO2.C2H4O2/c1-17-13(8-6-12(15-16)7-9-13)10-2-4-11(14)5-3-10;1-2(3)4/h2-5,16H,6-9H2,1H3;1H3,(H,3,4)/b15-12-;
InChIKeyXGGZOYWEFVIESB-OBBOLZQKSA-N
XLogP3.16
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine?
The IUPAC name of acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine (CID 88834966) is acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine.
What is the SMILES notation for acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine?
The canonical SMILES for acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine is CC(=O)O.COC1(c2ccc(F)cc2)CCC(=NO)CC1.
What is the InChIKey of acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine?
The InChIKey is XGGZOYWEFVIESB-OBBOLZQKSA-N. The full InChI is InChI=1S/C13H16FNO2.C2H4O2/c1-17-13(8-6-12(15-16)7-9-13)10-2-4-11(14)5-3-10;1-2(3)4/h2-5,16H,6-9H2,1H3;1H3,(H,3,4)/b15-12-;.
What are the key properties of acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine?
acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine has a molecular weight of 297.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[4-(4-fluorophenyl)-4-methoxycyclohexylidene]hydroxylamine is sourced from PubChem (CID 88834966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).