2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide

C11H12F3NO2 — CID 88546712

IUPAC2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CCCO)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-9-6-2-1-4-8(9)5-3-7-16/h1-2,4,6,16H,3,5,7H2,(H,15,17)
InChIKeyHIHGQECBBXGBBZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.11
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide

2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide (PubChem CID 88546712) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
PubChem CID88546712
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CCCO)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-9-6-2-1-4-8(9)5-3-7-16/h1-2,4,6,16H,3,5,7H2,(H,15,17)
InChIKeyHIHGQECBBXGBBZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
2,2,2-trifluoro-N-[4-(3-hydroxypropyl)-2-methylphenyl]acetamide
CID 88881817
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pyridine-2-carboxamide
CID 108934218
3-[2-(2,2-dimethylpropylamino)phenyl]propan-1-ol
CID 59833377
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
(2S)-2-hydroxy-N-[2-(2-hydroxyethyl)phenyl]-2-phenylpropanamide
CID 166386395
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
CID 63680184
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide (CID 88546712) is 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide is O=C(Nc1ccccc1CCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide?
The InChIKey is HIHGQECBBXGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)10(17)15-9-6-2-1-4-8(9)5-3-7-16/h1-2,4,6,16H,3,5,7H2,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide is sourced from PubChem (CID 88546712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).