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

C16H15F4NO — CID 117244064

IUPAC2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F4NO/c17-15-4-2-1-3-14(15)11(9-21)10-22-13-7-5-12(6-8-13)16(18,19)20/h1-8,11H,9-10,21H2
InChIKeyWIDYNZBQVDHPOZ-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.97
Rot. Bonds5

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

2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 117244064) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID117244064
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESNCC(COc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F4NO/c17-15-4-2-1-3-14(15)11(9-21)10-22-13-7-5-12(6-8-13)16(18,19)20/h1-8,11H,9-10,21H2
InChIKeyWIDYNZBQVDHPOZ-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-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244962
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
2-(2-fluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 83975523
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 117243022
4-(3,4-dimethylphenoxy)-2-(2-fluorophenyl)butan-1-amine
CID 82138148
3-(2-methylphenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 23623913
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
2-pyridin-4-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-ol
CID 117246541
1-[2-chloro-2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63543380
2-(2-fluorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112539065

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 117244064) is 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is NCC(COc1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is WIDYNZBQVDHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-15-4-2-1-3-14(15)11(9-21)10-22-13-7-5-12(6-8-13)16(18,19)20/h1-8,11H,9-10,21H2.
What are the key properties of 2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
2-(2-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-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 117244064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).