(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine

C10H10F5NO — CID 54485278

IUPAC(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine
SMILESCc1ccc(C(F)(F)F)c(/C=N\O)c1C.FF
InChIInChI=1S/C10H10F3NO.F2/c1-6-3-4-9(10(11,12)13)8(5-14-15)7(6)2;1-2/h3-5,15H,1-2H3;/b14-5-;
InChIKeyXRWCGEOWEZUMLB-MFGIPTIESA-N
MW255.19 g/mol
LogP3.97
Rot. Bonds1

About (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine

(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine (PubChem CID 54485278) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine.

Molecular Properties

Compound Name(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine
PubChem CID54485278
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine
SMILESCc1ccc(C(F)(F)F)c(/C=N\O)c1C.FF
InChIInChI=1S/C10H10F3NO.F2/c1-6-3-4-9(10(11,12)13)8(5-14-15)7(6)2;1-2/h3-5,15H,1-2H3;/b14-5-;
InChIKeyXRWCGEOWEZUMLB-MFGIPTIESA-N
XLogP3.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 53.97
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

(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 22319291
(NE)-N-[[4-[(E)-hydroxyiminomethyl]-2,3,5,6-tetramethylphenyl]methylidene]hydroxylamine
CID 135602130
2-(2-chloroacetyl)-3-methyl-6-(trifluoromethyl)benzaldehyde
CID 171014814
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylbenzaldehyde;(NE)-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]methylidene]hydroxylamine;hydroxylamine;hydrochloride
CID 172923672
2,6-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 170757552
2-[2,3-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 167218419
2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
CID 143901601
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
CID 139053635
trifluoromethanesulfonic acid;2,3,4-trimethylbenzenethiol
CID 175799159
2-methyl-4-methylsulfonyl-1-(trifluoromethyl)benzene
CID 162551925
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine?
The IUPAC name of (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine (CID 54485278) is (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine.
What is the SMILES notation for (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine?
The canonical SMILES for (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine is Cc1ccc(C(F)(F)F)c(/C=N\O)c1C.FF.
What is the InChIKey of (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine?
The InChIKey is XRWCGEOWEZUMLB-MFGIPTIESA-N. The full InChI is InChI=1S/C10H10F3NO.F2/c1-6-3-4-9(10(11,12)13)8(5-14-15)7(6)2;1-2/h3-5,15H,1-2H3;/b14-5-;.
What are the key properties of (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine?
(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine has a molecular weight of 255.19 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine is sourced from PubChem (CID 54485278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).