O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine

C9H10F3NO — CID 117293106

IUPACO-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)5-7-2-1-3-8(4-7)6-14-13/h1-4H,5-6,13H2
InChIKeyPFSCNLWENHXDIB-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.18
Rot. Bonds3

About O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine

O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine (PubChem CID 117293106) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
PubChem CID117293106
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameO-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)5-7-2-1-3-8(4-7)6-14-13/h1-4H,5-6,13H2
InChIKeyPFSCNLWENHXDIB-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.18
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-(2,2,2-trifluoroethyl)aniline
CID 54595012
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
1-[3-(aminooxymethyl)phenyl]-1,1-difluoropropan-2-one
CID 137389895
O-[2-[3-(2-fluoro-2-methylpropyl)phenyl]ethyl]hydroxylamine
CID 117302040
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
CID 84713401
O-[[3-(difluoromethylsulfanyl)phenyl]methyl]hydroxylamine
CID 117293314
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459
O-[(3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117276756
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
O-[[3-(methylamino)phenyl]methyl]hydroxylamine
CID 143975046
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172

Frequently Asked Questions

What is the IUPAC name of O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine (CID 117293106) is O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine is NOCc1cccc(CC(F)(F)F)c1.
What is the InChIKey of O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine?
The InChIKey is PFSCNLWENHXDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)5-7-2-1-3-8(4-7)6-14-13/h1-4H,5-6,13H2.
What are the key properties of O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine?
O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine has a molecular weight of 205.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117293106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).