N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine

C12H14F3NO — CID 139610708

IUPACN-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine
SMILESONCC1CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-9(2-4-11)10-5-8(6-10)7-16-17/h1-4,8,10,16-17H,5-7H2
InChIKeyHLZXGAALHOGKKW-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.18
Rot. Bonds3

About N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine

N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine (PubChem CID 139610708) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine
PubChem CID139610708
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine
SMILESONCC1CC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-9(2-4-11)10-5-8(6-10)7-16-17/h1-4,8,10,16-17H,5-7H2
InChIKeyHLZXGAALHOGKKW-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.18
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

1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 156800900
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 64514395
N-[(3-chlorocyclobutyl)methyl]-4-(trifluoromethyl)aniline
CID 66004169
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062
2-[5-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]acetic acid
CID 169221936
N-[2-(prop-2-enoylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155937668
(2S,4R)-2-(iodomethyl)-4-[4-(trifluoromethyl)phenyl]oxolane
CID 125456778
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
1,1-diethyl-2-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082528
5-[4-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbaldehyde
CID 175777425
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 81358226

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine?
The IUPAC name of N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine (CID 139610708) is N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine is ONCC1CC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine?
The InChIKey is HLZXGAALHOGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-3-1-9(2-4-11)10-5-8(6-10)7-16-17/h1-4,8,10,16-17H,5-7H2.
What are the key properties of N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine?
N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine has a molecular weight of 245.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(trifluoromethyl)phenyl]cyclobutyl]methyl]hydroxylamine is sourced from PubChem (CID 139610708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).