(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine

C20H30F3NO2 — CID 18674525

IUPAC(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C20H30F3NO2/c1-2-3-4-5-6-7-8-9-10-11-16-26-18-14-12-17(13-15-18)19(24-25)20(21,22)23/h12-15,25H,2-11,16H2,1H3/b24-19-
InChIKeyJPSJLJQMGYVUJN-CLCOLTQESA-N
MW373.46 g/mol
LogP6.73
Rot. Bonds13

About (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine

(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 18674525) has the molecular formula C20H30F3NO2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID18674525
Molecular FormulaC20H30F3NO2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Name(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESCCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1
InChIInChI=1S/C20H30F3NO2/c1-2-3-4-5-6-7-8-9-10-11-16-26-18-14-12-17(13-15-18)19(24-25)20(21,22)23/h12-15,25H,2-11,16H2,1H3/b24-19-
InChIKeyJPSJLJQMGYVUJN-CLCOLTQESA-N
XLogP6.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.73
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

4-Ethoxybenzaldehyde oxime
CID 6904186
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
4-(Trifluoromethoxy)benzaldoxime
CID 9582153
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
Chroman-4-one oxime
CID 9673039
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314
4-(4-Ethoxyphenyl)-3-buten-2-one oxime
CID 5340604
(1E)-1-(4-ethoxyphenyl)-N-hydroxy-1-(hydroxyimino)propan-2-amine
CID 5734186
1-[4-(Allyloxy)-3-methoxyphenyl]-1-propanone oxime
CID 9587247

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine (CID 18674525) is (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine is CCCCCCCCCCCCOc1ccc(/C(=N/O)C(F)(F)F)cc1.
What is the InChIKey of (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is JPSJLJQMGYVUJN-CLCOLTQESA-N. The full InChI is InChI=1S/C20H30F3NO2/c1-2-3-4-5-6-7-8-9-10-11-16-26-18-14-12-17(13-15-18)19(24-25)20(21,22)23/h12-15,25H,2-11,16H2,1H3/b24-19-.
What are the key properties of (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
(NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 373.46 g/mol, XLogP of 6.73, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-dodecoxyphenyl)-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 18674525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).