N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine

C9H7F6NO — CID 137418148

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
SMILESCN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3
InChIKeyFHNRGYNNYXGLDU-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.55
Rot. Bonds1

About N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine

N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine (PubChem CID 137418148) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
PubChem CID137418148
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine
SMILESCN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3
InChIKeyFHNRGYNNYXGLDU-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)aniline
CID 59709261
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylpropanamide
CID 58356050
1-[3,5-bis(trifluoromethyl)phenyl]-1-methylguanidine
CID 57036835
1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine
CID 10403451
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
N-[3,5-bis(trifluoromethyl)phenyl]-N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 46221096
1-[3,5-bis(trifluoromethyl)phenyl]-1-(tert-butylamino)thiourea
CID 22302786
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
1,3-diamino-1-[3,5-bis(trifluoromethyl)phenyl]urea
CID 138738964

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine (CID 137418148) is N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine is CN(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
The InChIKey is FHNRGYNNYXGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c1-16(17)7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4,17H,1H3.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine?
N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine has a molecular weight of 259.15 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-methylhydroxylamine is sourced from PubChem (CID 137418148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).