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

C9H10F3NO — CID 124574091

IUPACN-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@H](NO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-6,13-14H,1H3/t6-/m0/s1
InChIKeyDEMLQIXIOMGTBA-LURJTMIESA-N
MW205.18 g/mol
LogP2.75
Rot. Bonds2

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

N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 124574091) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID124574091
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESC[C@H](NO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-6,13-14H,1H3/t6-/m0/s1
InChIKeyDEMLQIXIOMGTBA-LURJTMIESA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.75
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-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 82685028
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 124574091) is N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine is C[C@H](NO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is DEMLQIXIOMGTBA-LURJTMIESA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-6,13-14H,1H3/t6-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 205.18 g/mol, XLogP of 2.75, 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-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 124574091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).