N-[4-(trifluoromethyl)phenoxy]methanamine

C8H8F3NO — CID 117126751

IUPACN-[4-(trifluoromethyl)phenoxy]methanamine
SMILESCNOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c1-12-13-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyZMXDVXTXFZYDLH-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.22
Rot. Bonds2

About N-[4-(trifluoromethyl)phenoxy]methanamine

N-[4-(trifluoromethyl)phenoxy]methanamine (PubChem CID 117126751) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenoxy]methanamine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenoxy]methanamine
PubChem CID117126751
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-[4-(trifluoromethyl)phenoxy]methanamine
SMILESCNOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c1-12-13-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3
InChIKeyZMXDVXTXFZYDLH-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(trifluoromethyl)phenoxy]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethyl[4-(trifluoromethyl)phenoxy]silane
CID 11817173
O-(2-(trifluoromethyl)phenyl)hydroxylamine
CID 10035140
O-(4-(trifluoromethyl)phenyl)hydroxylamine
CID 10374970
O-[3-(trifluoromethyl)phenyl]hydroxylamine
CID 11367315
4-(Trifluoromethyl)phenolate
CID 22463448
Sodium 4-(trifluoromethyl)phenoxide
CID 23690355
Dimethylsulfamic acid 4-(trifluoromethyl)phenyl ester
CID 44622898
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
4-(Trifluoromethyl)phenoxyradical
CID 90780540
p-trifluoromethylphenoxy-N-methyl-propylamine
CID 129716509
N-(4-methylphenoxy)acetamide
CID 10654597
o-(p-Tolyl)hydroxylamine
CID 12571732

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenoxy]methanamine?
The IUPAC name of N-[4-(trifluoromethyl)phenoxy]methanamine (CID 117126751) is N-[4-(trifluoromethyl)phenoxy]methanamine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenoxy]methanamine?
The canonical SMILES for N-[4-(trifluoromethyl)phenoxy]methanamine is CNOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenoxy]methanamine?
The InChIKey is ZMXDVXTXFZYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-12-13-7-4-2-6(3-5-7)8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-[4-(trifluoromethyl)phenoxy]methanamine?
N-[4-(trifluoromethyl)phenoxy]methanamine has a molecular weight of 191.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenoxy]methanamine is sourced from PubChem (CID 117126751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).