N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine

C6H10F3NO — CID 59155006

IUPACN-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine
SMILESCCN(O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NO/c1-2-10(11)4-3-5(7)6(8)9/h11H,2-4H2,1H3
InChIKeyGEGOFDFQGCZRIX-UHFFFAOYSA-N
MW169.15 g/mol
LogP2.17
Rot. Bonds4

About N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine

N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine (PubChem CID 59155006) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine
PubChem CID59155006
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine
SMILESCCN(O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NO/c1-2-10(11)4-3-5(7)6(8)9/h11H,2-4H2,1H3
InChIKeyGEGOFDFQGCZRIX-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine?
The IUPAC name of N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine (CID 59155006) is N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine.
What is the SMILES notation for N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine?
The canonical SMILES for N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine is CCN(O)CCC(F)=C(F)F.
What is the InChIKey of N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine?
The InChIKey is GEGOFDFQGCZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-10(11)4-3-5(7)6(8)9/h11H,2-4H2,1H3.
What are the key properties of N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine?
N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine has a molecular weight of 169.15 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,4,4-trifluorobut-3-enyl)hydroxylamine is sourced from PubChem (CID 59155006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).