[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine

C10H9F6NO — CID 43153637

IUPAC[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-18-8-2-1-7(10(14,15)16)3-6(8)4-17/h1-3H,4-5,17H2
InChIKeyMDCGPTQNHZYYNF-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.11
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine

[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 43153637) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID43153637
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(C(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-18-8-2-1-7(10(14,15)16)3-6(8)4-17/h1-3H,4-5,17H2
InChIKeyMDCGPTQNHZYYNF-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]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

2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
[2-butoxy-5-(trifluoromethyl)phenyl]methanamine
CID 43267438
3-(aminomethyl)-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 67169343
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine (CID 43153637) is [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(C(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MDCGPTQNHZYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-9(12,13)5-18-8-2-1-7(10(14,15)16)3-6(8)4-17/h1-3H,4-5,17H2.
What are the key properties of [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine?
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 273.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43153637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).