N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide

C14H18F3NO2 — CID 107358308

IUPACN-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO2/c1-2-12(11-6-4-3-5-7-11)13(20)18(8-9-19)10-14(15,16)17/h3-7,12,19H,2,8-10H2,1H3
InChIKeyQBBUEELNRFEICT-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.56
Rot. Bonds6

About N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 107358308) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID107358308
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H18F3NO2/c1-2-12(11-6-4-3-5-7-11)13(20)18(8-9-19)10-14(15,16)17/h3-7,12,19H,2,8-10H2,1H3
InChIKeyQBBUEELNRFEICT-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11031349
2-(4-Isobutylphenyl)-1-morpholinopropan-1-one
CID 2850328
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
N-(2-hydroxyethyl)-2-phenylacetamide
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E-5050
CID 129506
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CID 6442279

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide (CID 107358308) is N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(C(=O)N(CCO)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is QBBUEELNRFEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-2-12(11-6-4-3-5-7-11)13(20)18(8-9-19)10-14(15,16)17/h3-7,12,19H,2,8-10H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 289.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 107358308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).