1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride

C15H14ClF4NO — CID 168665296

IUPAC1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1.Cl
InChIInChI=1S/C15H13F4NO.ClH/c1-9(20)10-2-4-11(5-3-10)13-8-12(6-7-14(13)16)21-15(17,18)19;/h2-9H,20H2,1H3;1H
InChIKeyQBGJOAAFBLDVSV-UHFFFAOYSA-N
MW335.73 g/mol
LogP4.83
Rot. Bonds3

About 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride

1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride (PubChem CID 168665296) has the molecular formula C15H14ClF4NO and a molecular weight of 335.73 g/mol. Its IUPAC name is 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
PubChem CID168665296
Molecular FormulaC15H14ClF4NO
Molecular Weight335.73 g/mol
Exact Mass335.07
IUPAC Name1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1.Cl
InChIInChI=1S/C15H13F4NO.ClH/c1-9(20)10-2-4-11(5-3-10)13-8-12(6-7-14(13)16)21-15(17,18)19;/h2-9H,20H2,1H3;1H
InChIKeyQBGJOAAFBLDVSV-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride (CID 168665296) is 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride is CC(N)c1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1.Cl.
What is the InChIKey of 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride?
The InChIKey is QBGJOAAFBLDVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO.ClH/c1-9(20)10-2-4-11(5-3-10)13-8-12(6-7-14(13)16)21-15(17,18)19;/h2-9H,20H2,1H3;1H.
What are the key properties of 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride?
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride has a molecular weight of 335.73 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 168665296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).