N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine

C5H6F3NO — CID 174496911

IUPACN-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine
SMILESCC(C=CC(F)(F)F)=NO
InChIInChI=1S/C5H6F3NO/c1-4(9-10)2-3-5(6,7)8/h2-3,10H,1H3
InChIKeyBABIMQGASAKNLV-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.96
Rot. Bonds1

About N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine

N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine (PubChem CID 174496911) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine
PubChem CID174496911
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC NameN-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine
SMILESCC(C=CC(F)(F)F)=NO
InChIInChI=1S/C5H6F3NO/c1-4(9-10)2-3-5(6,7)8/h2-3,10H,1H3
InChIKeyBABIMQGASAKNLV-UHFFFAOYSA-N
XLogP1.96
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.96
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'}

Analyze N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine?
The IUPAC name of N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine (CID 174496911) is N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine?
The canonical SMILES for N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine is CC(C=CC(F)(F)F)=NO.
What is the InChIKey of N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine?
The InChIKey is BABIMQGASAKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-4(9-10)2-3-5(6,7)8/h2-3,10H,1H3.
What are the key properties of N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine?
N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine has a molecular weight of 153.10 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropent-3-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 174496911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).