N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide

C12H14F3NO2 — CID 170020626

IUPACN-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
SMILESCCNC(=O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-16-10(17)8-11(18,12(13,14)15)9-6-4-3-5-7-9/h3-7,18H,2,8H2,1H3,(H,16,17)
InChIKeyLSJXHMWWNXQQSL-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.96
Rot. Bonds4

About N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide

N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide (PubChem CID 170020626) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
PubChem CID170020626
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
SMILESCCNC(=O)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-16-10(17)8-11(18,12(13,14)15)9-6-4-3-5-7-9/h3-7,18H,2,8H2,1H3,(H,16,17)
InChIKeyLSJXHMWWNXQQSL-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide (CID 170020626) is N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide is CCNC(=O)CC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
The InChIKey is LSJXHMWWNXQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-16-10(17)8-11(18,12(13,14)15)9-6-4-3-5-7-9/h3-7,18H,2,8H2,1H3,(H,16,17).
What are the key properties of N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide?
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide has a molecular weight of 261.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 170020626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).