(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

C8H4ClF4NO2 — CID 118482126

IUPAC(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1c(Cl)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H4ClF4NO2/c9-5-1-2-6(16-8(11,12)13)7(10)4(5)3-14-15/h1-3,15H/b14-3+
InChIKeyNDXFJWZMVNLTGE-LZWSPWQCSA-N
MW257.57 g/mol
LogP3.19
Rot. Bonds2

About (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 118482126) has the molecular formula C8H4ClF4NO2 and a molecular weight of 257.57 g/mol. Its IUPAC name is (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
PubChem CID118482126
Molecular FormulaC8H4ClF4NO2
Molecular Weight257.57 g/mol
Exact Mass256.99
IUPAC Name(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1c(Cl)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C8H4ClF4NO2/c9-5-1-2-6(16-8(11,12)13)7(10)4(5)3-14-15/h1-3,15H/b14-3+
InChIKeyNDXFJWZMVNLTGE-LZWSPWQCSA-N
XLogP3.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (CID 118482126) is (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is O/N=C/c1c(Cl)ccc(OC(F)(F)F)c1F.
What is the InChIKey of (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is NDXFJWZMVNLTGE-LZWSPWQCSA-N. The full InChI is InChI=1S/C8H4ClF4NO2/c9-5-1-2-6(16-8(11,12)13)7(10)4(5)3-14-15/h1-3,15H/b14-3+.
What are the key properties of (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 257.57 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[6-chloro-2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 118482126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).