N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine

C10H9F6NO — CID 82685028

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCC(NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO/c1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17-18H,1H3
InChIKeyCXWUVDJJRLDQFH-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.76
Rot. Bonds2

About N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine

N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 82685028) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID82685028
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCC(NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H9F6NO/c1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17-18H,1H3
InChIKeyCXWUVDJJRLDQFH-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
1-(3-methylbut-3-en-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 142096836
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2,2-difluoroethanamine
CID 115405734
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 118492024
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006
[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl] acetate
CID 102127069
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
CID 143627234
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylethanamine;2-hydroxybutanedioic acid
CID 53396449
(1S)-N-ethyl-1-[3-methyl-5-(trifluoromethyl)phenyl]ethanamine
CID 58900711
(2R)-2-[3,5-bis(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 20599034

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 82685028) is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine is CC(NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is CXWUVDJJRLDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c1-5(17-18)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17-18H,1H3.
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 273.18 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 82685028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).