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

C9H15F2NO — CID 22769384

IUPAC(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
SMILESCC1(/C(=N/O)C(F)F)CCCCC1
InChIInChI=1S/C9H15F2NO/c1-9(5-3-2-4-6-9)7(12-13)8(10)11/h8,13H,2-6H2,1H3/b12-7+
InChIKeyLJQJILNOIHHHGJ-KPKJPENVSA-N
MW191.22 g/mol
LogP3.05
Rot. Bonds2

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

(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine (PubChem CID 22769384) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
PubChem CID22769384
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine
SMILESCC1(/C(=N/O)C(F)F)CCCCC1
InChIInChI=1S/C9H15F2NO/c1-9(5-3-2-4-6-9)7(12-13)8(10)11/h8,13H,2-6H2,1H3/b12-7+
InChIKeyLJQJILNOIHHHGJ-KPKJPENVSA-N
XLogP3.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 53.05
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-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine (CID 22769384) is (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine is CC1(/C(=N/O)C(F)F)CCCCC1.
What is the InChIKey of (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
The InChIKey is LJQJILNOIHHHGJ-KPKJPENVSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-9(5-3-2-4-6-9)7(12-13)8(10)11/h8,13H,2-6H2,1H3/b12-7+.
What are the key properties of (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine has a molecular weight of 191.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-difluoro-1-(1-methylcyclohexyl)ethylidene]hydroxylamine is sourced from PubChem (CID 22769384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).