(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine

C13H16F3NO2 — CID 115514140

IUPAC(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-12(17-18)10-4-6-11(7-5-10)19-9-3-8-13(14,15)16/h4-7,18H,2-3,8-9H2,1H3/b17-12-
InChIKeyQMOPPYLKAXURNC-ATVHPVEESA-N
MW275.27 g/mol
LogP4.00
Rot. Bonds6

About (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine (PubChem CID 115514140) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
PubChem CID115514140
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-2-12(17-18)10-4-6-11(7-5-10)19-9-3-8-13(14,15)16/h4-7,18H,2-3,8-9H2,1H3/b17-12-
InChIKeyQMOPPYLKAXURNC-ATVHPVEESA-N
XLogP4.00
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
4-(4,4,4-trifluorobutoxy)benzenecarboperoxoic acid
CID 146939193
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
1-(4-butoxyphenyl)-5,5,5-trifluoropentan-1-one
CID 105123323
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
2-methylbutan-2-yl 4-(4,4,4-trifluorobutoxy)benzoate
CID 145345570
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1,5-bis(4-heptoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
CID 3094830
1-(4-butoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 105106823

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine (CID 115514140) is (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is QMOPPYLKAXURNC-ATVHPVEESA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-12(17-18)10-4-6-11(7-5-10)19-9-3-8-13(14,15)16/h4-7,18H,2-3,8-9H2,1H3/b17-12-.
What are the key properties of (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 275.27 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 115514140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).