(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine

C9H16FNO — CID 22769340

IUPAC(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
SMILESCC1(/C(CF)=N/O)CCCCC1
InChIInChI=1S/C9H16FNO/c1-9(8(7-10)11-12)5-3-2-4-6-9/h12H,2-7H2,1H3/b11-8+
InChIKeyXHOLHMVJEKUAOF-DHZHZOJOSA-N
MW173.23 g/mol
LogP2.76
Rot. Bonds2

About (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine

(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine (PubChem CID 22769340) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
PubChem CID22769340
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
SMILESCC1(/C(CF)=N/O)CCCCC1
InChIInChI=1S/C9H16FNO/c1-9(8(7-10)11-12)5-3-2-4-6-9/h12H,2-7H2,1H3/b11-8+
InChIKeyXHOLHMVJEKUAOF-DHZHZOJOSA-N
XLogP2.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine (CID 22769340) is (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine is CC1(/C(CF)=N/O)CCCCC1.
What is the InChIKey of (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The InChIKey is XHOLHMVJEKUAOF-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(8(7-10)11-12)5-3-2-4-6-9/h12H,2-7H2,1H3/b11-8+.
What are the key properties of (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
(NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine has a molecular weight of 173.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-fluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine is sourced from PubChem (CID 22769340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).