2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H13F4NO — CID 106706114

IUPAC2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNCC(COCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4NO/c12-10-3-1-8(2-4-10)9(5-16)6-17-7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyPXTASNZZSHXLEC-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.45
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706114) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706114
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNCC(COCC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4NO/c12-10-3-1-8(2-4-10)9(5-16)6-17-7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyPXTASNZZSHXLEC-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine 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-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
CID 88585550
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
2-(4-bromophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79441826
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
5,5,5-trifluoro-3-(4-fluorophenyl)pentan-1-amine
CID 82534562
2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 82160885
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706114) is 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NCC(COCC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is PXTASNZZSHXLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-10-3-1-8(2-4-10)9(5-16)6-17-7-11(13,14)15/h1-4,9H,5-7,16H2.
What are the key properties of 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).