(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one

C18H17F3O — CID 102098342

IUPAC(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCC[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3O/c1-2-13(14-6-4-3-5-7-14)12-17(22)15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,2,12H2,1H3/t13-/m1/s1
InChIKeyOZOUDFWMWGUHEL-CYBMUJFWSA-N
MW306.33 g/mol
LogP5.47
Rot. Bonds5

About (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one

(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one (PubChem CID 102098342) has the molecular formula C18H17F3O and a molecular weight of 306.33 g/mol. Its IUPAC name is (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
PubChem CID102098342
Molecular FormulaC18H17F3O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
SMILESCC[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3O/c1-2-13(14-6-4-3-5-7-14)12-17(22)15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,2,12H2,1H3/t13-/m1/s1
InChIKeyOZOUDFWMWGUHEL-CYBMUJFWSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.33
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The IUPAC name of (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one (CID 102098342) is (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one.
What is the SMILES notation for (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The canonical SMILES for (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one is CC[C@H](CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
The InChIKey is OZOUDFWMWGUHEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17F3O/c1-2-13(14-6-4-3-5-7-14)12-17(22)15-8-10-16(11-9-15)18(19,20)21/h3-11,13H,2,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one?
(3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one has a molecular weight of 306.33 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one is sourced from PubChem (CID 102098342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).