(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine

C10H7F6NO — CID 155530985

IUPAC(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C/Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)7-3-6(1-2-17-18)4-8(5-7)10(14,15)16/h2-5,18H,1H2/b17-2+
InChIKeyWLQWUQJCUCSLTE-LAZPYJJCSA-N
MW271.16 g/mol
LogP3.73
Rot. Bonds2

About (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine

(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 155530985) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine
PubChem CID155530985
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C/Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c11-9(12,13)7-3-6(1-2-17-18)4-8(5-7)10(14,15)16/h2-5,18H,1H2/b17-2+
InChIKeyWLQWUQJCUCSLTE-LAZPYJJCSA-N
XLogP3.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.73
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 (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine (CID 155530985) is (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine is O/N=C/Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is WLQWUQJCUCSLTE-LAZPYJJCSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-9(12,13)7-3-6(1-2-17-18)4-8(5-7)10(14,15)16/h2-5,18H,1H2/b17-2+.
What are the key properties of (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
(NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 271.16 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[3,5-bis(trifluoromethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 155530985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).