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

C12H14F3NO2 — CID 66618887

IUPAC5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
SMILESNC(=O)CC(CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-3-1-8(2-4-10)9(5-6-17)7-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18)
InChIKeyRSFNDAZNXVICDW-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.05
Rot. Bonds5

About 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide

5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 66618887) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID66618887
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide
SMILESNC(=O)CC(CCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-3-1-8(2-4-10)9(5-6-17)7-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18)
InChIKeyRSFNDAZNXVICDW-UHFFFAOYSA-N
XLogP2.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide (CID 66618887) is 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide is NC(=O)CC(CCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is RSFNDAZNXVICDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)10-3-1-8(2-4-10)9(5-6-17)7-11(16)18/h1-4,9,17H,5-7H2,(H2,16,18).
What are the key properties of 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide?
5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 261.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 66618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).