(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

C15H13F4NO — CID 118340404

IUPAC(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H13F4NO/c16-12-6-4-9(5-7-12)14(21)13(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,13-14,21H,20H2/t13-,14-/m1/s1
InChIKeyIUJHFPXQUGWXSN-ZIAGYGMSSA-N
MW299.27 g/mol
LogP3.58
Rot. Bonds3

About (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol

(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 118340404) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID118340404
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H13F4NO/c16-12-6-4-9(5-7-12)14(21)13(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,13-14,21H,20H2/t13-,14-/m1/s1
InChIKeyIUJHFPXQUGWXSN-ZIAGYGMSSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol (CID 118340404) is (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is N[C@H](c1cccc(C(F)(F)F)c1)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is IUJHFPXQUGWXSN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-6-4-9(5-7-12)14(21)13(20)10-2-1-3-11(8-10)15(17,18)19/h1-8,13-14,21H,20H2/t13-,14-/m1/s1.
What are the key properties of (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol?
(1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 118340404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).