2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol

C16H15F4NO — CID 22261995

IUPAC2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1cccc(C(F)(F)F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-13-6-4-11(5-7-13)15(22)14(21)9-10-2-1-3-12(8-10)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyIGXNYXZOXWOYEP-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol

2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 22261995) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID22261995
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1cccc(C(F)(F)F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C16H15F4NO/c17-13-6-4-11(5-7-13)15(22)14(21)9-10-2-1-3-12(8-10)16(18,19)20/h1-8,14-15,22H,9,21H2
InChIKeyIGXNYXZOXWOYEP-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 22261995) is 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol is NC(Cc1cccc(C(F)(F)F)c1)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is IGXNYXZOXWOYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c17-13-6-4-11(5-7-13)15(22)14(21)9-10-2-1-3-12(8-10)16(18,19)20/h1-8,14-15,22H,9,21H2.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 313.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 22261995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).