O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine

C9H10F3NO — CID 10899748

IUPACO-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@@H](ON)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(14-13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1
InChIKeyFZLKWLBPQBWLCU-ZCFIWIBFSA-N
MW205.18 g/mol
LogP2.66
Rot. Bonds2

About O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine

O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 10899748) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID10899748
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameO-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@@H](ON)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(14-13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1
InChIKeyFZLKWLBPQBWLCU-ZCFIWIBFSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.66
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

(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
3-[1-[3-(trifluoromethyl)phenyl]ethoxy]azetidine
CID 172798523
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171

Frequently Asked Questions

What is the IUPAC name of O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 10899748) is O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine is C[C@@H](ON)c1cccc(C(F)(F)F)c1.
What is the InChIKey of O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is FZLKWLBPQBWLCU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(14-13)7-3-2-4-8(5-7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1.
What are the key properties of O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 205.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 10899748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).