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

C9H14F3NO — CID 22769430

IUPAC(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine
SMILESO/N=C(\C(F)F)C1(CF)CCCCC1
InChIInChI=1S/C9H14F3NO/c10-6-9(4-2-1-3-5-9)7(13-14)8(11)12/h8,14H,1-6H2/b13-7+
InChIKeyPGIDCUZDUMUXRV-NTUHNPAUSA-N
MW209.21 g/mol
LogP3.00
Rot. Bonds3

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

(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine (PubChem CID 22769430) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine
PubChem CID22769430
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine
SMILESO/N=C(\C(F)F)C1(CF)CCCCC1
InChIInChI=1S/C9H14F3NO/c10-6-9(4-2-1-3-5-9)7(13-14)8(11)12/h8,14H,1-6H2/b13-7+
InChIKeyPGIDCUZDUMUXRV-NTUHNPAUSA-N
XLogP3.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 53.00
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-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine (CID 22769430) is (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine is O/N=C(\C(F)F)C1(CF)CCCCC1.
What is the InChIKey of (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine?
The InChIKey is PGIDCUZDUMUXRV-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-6-9(4-2-1-3-5-9)7(13-14)8(11)12/h8,14H,1-6H2/b13-7+.
What are the key properties of (NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine?
(NZ)-N-[2,2-difluoro-1-[1-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine has a molecular weight of 209.21 g/mol, XLogP of 3.00, 3 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-(fluoromethyl)cyclohexyl]ethylidene]hydroxylamine is sourced from PubChem (CID 22769430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).