(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine

C12H14F3NO3 — CID 109374404

IUPAC(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1OCCOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-9(16-17)10-4-2-3-5-11(10)19-7-6-18-8-12(13,14)15/h2-5,17H,6-8H2,1H3/b16-9-
InChIKeySPTJTWWNNBCXHI-SXGWCWSVSA-N
MW277.24 g/mol
LogP2.84
Rot. Bonds6

About (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 109374404) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine
PubChem CID109374404
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1OCCOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-9(16-17)10-4-2-3-5-11(10)19-7-6-18-8-12(13,14)15/h2-5,17H,6-8H2,1H3/b16-9-
InChIKeySPTJTWWNNBCXHI-SXGWCWSVSA-N
XLogP2.84
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-[1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propylidene]hydroxylamine
CID 76905202
(NE)-N-[1-(2-octoxyphenyl)ethylidene]hydroxylamine
CID 43129538
N-[1-(2-decoxyphenyl)ethylidene]hydroxylamine
CID 76999545
N-[1-[2-(2-phenylsulfanylethoxy)phenyl]ethylidene]hydroxylamine
CID 79221819
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzoic acid
CID 82828919
1,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 113226849
1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]propan-2-ol
CID 60885810
(NZ)-N-[1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethylidene]hydroxylamine
CID 109374436
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]acetamide
CID 24699457
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine (CID 109374404) is (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccccc1OCCOCC(F)(F)F.
What is the InChIKey of (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is SPTJTWWNNBCXHI-SXGWCWSVSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-9(16-17)10-4-2-3-5-11(10)19-7-6-18-8-12(13,14)15/h2-5,17H,6-8H2,1H3/b16-9-.
What are the key properties of (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 277.24 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 109374404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).