3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide

C12H14F3NO2 — CID 24874360

IUPAC3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(O)(CC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-11(18,7-10(16)17)8-3-5-9(6-4-8)12(13,14)15/h3-6,18H,2,7H2,1H3,(H2,16,17)
InChIKeyTYBNOWQMMHTQDO-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.18
Rot. Bonds4

About 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide

3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 24874360) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID24874360
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCC(O)(CC(N)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-11(18,7-10(16)17)8-3-5-9(6-4-8)12(13,14)15/h3-6,18H,2,7H2,1H3,(H2,16,17)
InChIKeyTYBNOWQMMHTQDO-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

beta-Ethyl-beta-hydroxybenzenepropanamide
CID 64814
Atrolactamide
CID 16235
2-Hydroxy-2-phenylbutyramide
CID 86230
beta-Hydroxy-beta-phenylbenzenepropanamide
CID 96551
gamma-Hydroxy-gamma-ethyl-gamma-phenylbutyramide
CID 128930
5,5,5-Trifluoro-4-hydroxy-4-phenylpentan-2-one
CID 2853535
U-77864
CID 3035779
N,3-dihydroxy-3-[3-(trifluoromethyl)phenyl]propanamide
CID 72707664
N,3-dihydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72707669
2-Hydroxy-2-phenylpentanamide
CID 5143691
alpha-Trifluoromethyl-alpha-hydroxybenzeneacetamide
CID 10220069
Benzeneacetamide, alpha-hydroxy-alpha-(2,2,2-trifluoroethyl)-
CID 10944340

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide (CID 24874360) is 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide is CCC(O)(CC(N)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is TYBNOWQMMHTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-11(18,7-10(16)17)8-3-5-9(6-4-8)12(13,14)15/h3-6,18H,2,7H2,1H3,(H2,16,17).
What are the key properties of 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 261.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 24874360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).