1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine

C15H13F4NO — CID 62916529

IUPAC1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c1-14(20,10-5-7-12(16)8-6-10)11-3-2-4-13(9-11)21-15(17,18)19/h2-9H,20H2,1H3
InChIKeyCQWUXXWBTVKWOS-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine

1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 62916529) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID62916529
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c1-14(20,10-5-7-12(16)8-6-10)11-3-2-4-13(9-11)21-15(17,18)19/h2-9H,20H2,1H3
InChIKeyCQWUXXWBTVKWOS-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
1-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 54946064
1-(3,5-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62787473
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
1-(3,4-difluorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 62802017
1-(3-methylpenta-1,4-dien-3-yl)-3-(trifluoromethoxy)benzene
CID 169282369
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
ethane;3-(trifluoromethoxy)phenol
CID 143201974

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 62916529) is 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine is CC(N)(c1ccc(F)cc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is CQWUXXWBTVKWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-14(20,10-5-7-12(16)8-6-10)11-3-2-4-13(9-11)21-15(17,18)19/h2-9H,20H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 299.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 62916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).