2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide

C19H24F3NO2 — CID 76624638

IUPAC2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide
SMILESCCCCCC(O)C#Cc1cccc(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H24F3NO2/c1-2-3-4-10-17(24)12-11-16-8-5-7-15(14-16)9-6-13-23-18(25)19(20,21)22/h5,7-8,14,17,24H,2-4,6,9-10,13H2,1H3,(H,23,25)
InChIKeyIPPKSDLSBIZJST-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.59
Rot. Bonds8

About 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide

2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide (PubChem CID 76624638) has the molecular formula C19H24F3NO2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide
PubChem CID76624638
Molecular FormulaC19H24F3NO2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide
SMILESCCCCCC(O)C#Cc1cccc(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C19H24F3NO2/c1-2-3-4-10-17(24)12-11-16-8-5-7-15(14-16)9-6-13-23-18(25)19(20,21)22/h5,7-8,14,17,24H,2-4,6,9-10,13H2,1H3,(H,23,25)
InChIKeyIPPKSDLSBIZJST-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(3-hydroxyhex-1-ynyl)phenyl]propyl]acetamide
CID 68852624
2,2,2-trifluoro-N-[3-[3-[3-hydroxy-5-methyl-3-(2-methylpropyl)hex-1-ynyl]phenyl]propyl]acetamide
CID 87082202
2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
CID 91068402
N-butyl-2,2,2-trifluoroacetamide;2-(3-phenylpropylamino)acetic acid
CID 142350928
1-(4-butylphenyl)oct-1-yn-3-ol
CID 146002782
N-[(3R)-3-(3-butylsulfonylphenyl)-3-hydroxypropyl]-2,2,2-trifluoroacetamide
CID 87519043
2,2,2-trifluoro-N-icosylacetamide
CID 91692791
N-dodecyl-2-(18F)fluoro-2,2-difluoroacetamide
CID 177484696
2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
CID 87344500
1-(3-methylsulfanylphenyl)hept-1-yn-3-ol
CID 146003688
1-butyl-3-pent-1-ynylbenzene
CID 145057791
2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
CID 174633476

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide (CID 76624638) is 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide is CCCCCC(O)C#Cc1cccc(CCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide?
The InChIKey is IPPKSDLSBIZJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO2/c1-2-3-4-10-17(24)12-11-16-8-5-7-15(14-16)9-6-13-23-18(25)19(20,21)22/h5,7-8,14,17,24H,2-4,6,9-10,13H2,1H3,(H,23,25).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 3.59, 8 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-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide is sourced from PubChem (CID 76624638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).