N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine

C12H8F3NO3 — CID 2741152

IUPACN-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)19-11-4-2-1-3-9(11)10-6-5-8(18-10)7-16-17/h1-7,17H
InChIKeyHVZHTVWSSHHIAX-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.65
Rot. Bonds3

About N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine

N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine (PubChem CID 2741152) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine
PubChem CID2741152
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC NameN-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine
SMILESON=Cc1ccc(-c2ccccc2OC(F)(F)F)o1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)19-11-4-2-1-3-9(11)10-6-5-8(18-10)7-16-17/h1-7,17H
InChIKeyHVZHTVWSSHHIAX-UHFFFAOYSA-N
XLogP3.65
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine (CID 2741152) is N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine is ON=Cc1ccc(-c2ccccc2OC(F)(F)F)o1.
What is the InChIKey of N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine?
The InChIKey is HVZHTVWSSHHIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)19-11-4-2-1-3-9(11)10-6-5-8(18-10)7-16-17/h1-7,17H.
What are the key properties of N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine?
N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine has a molecular weight of 271.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 2741152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).