(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H13F4NO — CID 46869838

IUPAC(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC[C@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-12-5-7-13(8-6-12)20-14(9-21)10-1-3-11(4-2-10)15(17,18)19/h1-8,14,20-21H,9H2/t14-/m0/s1
InChIKeyVUKLLAQJWYNOPI-AWEZNQCLSA-N
MW299.27 g/mol
LogP3.99
Rot. Bonds4

About (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol

(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 46869838) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID46869838
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC[C@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-12-5-7-13(8-6-12)20-14(9-21)10-1-3-11(4-2-10)15(17,18)19/h1-8,14,20-21H,9H2/t14-/m0/s1
InChIKeyVUKLLAQJWYNOPI-AWEZNQCLSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 46869838) is (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol is OC[C@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VUKLLAQJWYNOPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-5-7-13(8-6-12)20-14(9-21)10-1-3-11(4-2-10)15(17,18)19/h1-8,14,20-21H,9H2/t14-/m0/s1.
What are the key properties of (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol?
(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 46869838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).