2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C16H15F4NO — CID 117244962

IUPAC2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-5-1-11(2-6-14)12(9-21)10-22-15-7-3-13(4-8-15)16(18,19)20/h1-8,12H,9-10,21H2
InChIKeyGWBRTPMCSGFCLT-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 117244962) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID117244962
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-14-5-1-11(2-6-14)12(9-21)10-22-15-7-3-13(4-8-15)16(18,19)20/h1-8,12H,9-10,21H2
InChIKeyGWBRTPMCSGFCLT-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244064
3-methoxy-2-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 117245008
2-(4-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106706114
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 117243022
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
CID 117246541
3-ethylperoxy-2-(4-fluorophenyl)propan-1-amine
CID 88585550
2-[(4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 56693384
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
2-(thian-4-yl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117239375

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 117244962) is 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NCC(COc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is GWBRTPMCSGFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-14-5-1-11(2-6-14)12(9-21)10-22-15-7-3-13(4-8-15)16(18,19)20/h1-8,12H,9-10,21H2.
What are the key properties of 2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
2-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 313.29 g/mol, XLogP of 3.97, 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-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 117244962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).