N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine

C8H8F3NO — CID 59694264

IUPACN-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine
SMILESONc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-6-1-3-7(12-13)4-2-6/h1-4,12-13H,5H2
InChIKeyKLCDGMWQLQBLBV-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.59
Rot. Bonds2

About N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine

N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine (PubChem CID 59694264) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine
PubChem CID59694264
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine
SMILESONc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-6-1-3-7(12-13)4-2-6/h1-4,12-13H,5H2
InChIKeyKLCDGMWQLQBLBV-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.59
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

p-Toluidine
CID 7813
3-(Trifluoromethyl)aniline
CID 7375
4-Isopropylaniline
CID 7464
4-(Trifluoromethyl)aniline
CID 9964
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
4'-Fluoro(1,1'-biphenyl)-4-amine
CID 9462
4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382
4-Aminostyrene
CID 73700

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine?
The IUPAC name of N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine (CID 59694264) is N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine?
The canonical SMILES for N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine is ONc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine?
The InChIKey is KLCDGMWQLQBLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)5-6-1-3-7(12-13)4-2-6/h1-4,12-13H,5H2.
What are the key properties of N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine?
N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine has a molecular weight of 191.15 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine is sourced from PubChem (CID 59694264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).