2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide

C12H11F6NO2 — CID 10286442

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide
SMILESCCC(O)(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-2-10(21,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5,21H,2H2,1H3,(H2,19,20)
InChIKeyPACKFELGFUDZAJ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.81
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide

2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide (PubChem CID 10286442) has the molecular formula C12H11F6NO2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide
PubChem CID10286442
Molecular FormulaC12H11F6NO2
Molecular Weight315.21 g/mol
Exact Mass315.07
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide
SMILESCCC(O)(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6NO2/c1-2-10(21,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5,21H,2H2,1H3,(H2,19,20)
InChIKeyPACKFELGFUDZAJ-UHFFFAOYSA-N
XLogP2.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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alpha-Trifluoromethyl-alpha-hydroxybenzeneacetamide
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Benzenepropanamide, alpha-hydroxy-alpha-(trifluoromethyl)-
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Benzeneacetamide, alpha-hydroxy-alpha-(2,2,2-trifluoroethyl)-
CID 10944340
3-Chloro-3,3-difluoro-2-hydroxy-2-phenylpropanamide
CID 10955535
3,3,3-Trifluoro-2-hydroxy-2-[4-hydroxy-3,5-di(propan-2-yl)phenyl]propanamide
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2-Hydroxy-2-phenylheptanamide
CID 11424567

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide (CID 10286442) is 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide is CCC(O)(C(N)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide?
The InChIKey is PACKFELGFUDZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO2/c1-2-10(21,9(19)20)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5,21H,2H2,1H3,(H2,19,20).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide?
2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide has a molecular weight of 315.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybutanamide is sourced from PubChem (CID 10286442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).