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

C10H9F6NO — CID 163358845

IUPACN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@H](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/t5-/m0/s1
InChIKeyCXWUVDJJRLDQFH-YFKPBYRVSA-N
MW273.18 g/mol
LogP3.76
Rot. Bonds2

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

N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 163358845) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID163358845
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC NameN-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@H](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/t5-/m0/s1
InChIKeyCXWUVDJJRLDQFH-YFKPBYRVSA-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'}

Analyze N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+-)-Norfenfluramine
CID 15897
3-(Trifluoromethyl)benzylamine
CID 75962
(S)-Norfenfluramine
CID 9815618
3,5-Bis(trifluoromethyl)benzylamine
CID 521099
(-)-Norfenfluramine
CID 12895728
Norfenfluramine hydrochloride
CID 120765
Methyl((1-(3-(trifluoromethyl)phenyl)ethyl))amine
CID 16771160
(1R)-1-(3-(Trifluoromethyl)phenyl)ethylamine
CID 2782448
alpha-(Trifluoromethyl)benzenemethanamine
CID 89166
3,5-Bis(trifluoromethyl)-benzeneethanamine
CID 17979183
Propylamine, 1-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 3056799
(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
CID 2779052

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 163358845) is N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine is C[C@H](NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is CXWUVDJJRLDQFH-YFKPBYRVSA-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/t5-/m0/s1.
What are the key properties of N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine?
N-[(1S)-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-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 163358845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).