(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

C9H5F6NO — CID 19995449

IUPAC(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)6-3-1-5(2-4-6)7(16-17)9(13,14)15/h1-4,17H/b16-7-
InChIKeyVZNSMQCNHGZVIW-APSNUPSMSA-N
MW257.13 g/mol
LogP3.45
Rot. Bonds1

About (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (PubChem CID 19995449) has the molecular formula C9H5F6NO and a molecular weight of 257.13 g/mol. Its IUPAC name is (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
PubChem CID19995449
Molecular FormulaC9H5F6NO
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC Name(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-8(11,12)6-3-1-5(2-4-6)7(16-17)9(13,14)15/h1-4,17H/b16-7-
InChIKeyVZNSMQCNHGZVIW-APSNUPSMSA-N
XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[2,2,2-trifluoro-1-[4-[3-[4-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]propoxy]phenyl]ethylidene]hydroxylamine
CID 74062449
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
N-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 164862104
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-[4-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethylcarbamic acid
CID 87083994
(NE)-N-[3-methyl-3-[4-(trifluoromethyl)phenyl]butan-2-ylidene]hydroxylamine
CID 53344533
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425
CID 101352816
CID 101352816
4-(trifluoromethyl)(18F)phenol
CID 71660610
1,3,5-tris[2-[4-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]phenoxy]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 58582703
2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
CID 59115160

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine (CID 19995449) is (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is O/N=C(/c1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
The InChIKey is VZNSMQCNHGZVIW-APSNUPSMSA-N. The full InChI is InChI=1S/C9H5F6NO/c10-8(11,12)6-3-1-5(2-4-6)7(16-17)9(13,14)15/h1-4,17H/b16-7-.
What are the key properties of (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine?
(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine has a molecular weight of 257.13 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 19995449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).