(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine

C16H14F3NO3 — CID 23035301

IUPAC(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(OCC(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)11-23-14-6-7-15(13(8-14)9-20-21)22-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2/b20-9+
InChIKeySXIDKOVADUCMAY-AWQFTUOYSA-N
MW325.29 g/mol
LogP4.01
Rot. Bonds6

About (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 23035301) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
PubChem CID23035301
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(OCC(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C16H14F3NO3/c17-16(18,19)11-23-14-6-7-15(13(8-14)9-20-21)22-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2/b20-9+
InChIKeySXIDKOVADUCMAY-AWQFTUOYSA-N
XLogP4.01
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.01
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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Related Compounds

(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 798181
benzyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate
CID 23390398
2-[(phenylhydrazinylidene)methyl]-5-(2,2,2-trifluoroethoxy)phenol
CID 169383696
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
(NZ)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 6299617
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172088
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
N-[(3-chloro-2-methoxy-5-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 86010105

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine (CID 23035301) is (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine is O/N=C/c1cc(OCC(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is SXIDKOVADUCMAY-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c17-16(18,19)11-23-14-6-7-15(13(8-14)9-20-21)22-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2/b20-9+.
What are the key properties of (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 325.29 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-phenylmethoxy-5-(2,2,2-trifluoroethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 23035301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).