2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide

C17H22F3NO2 — CID 91068402

IUPAC2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
SMILESCCCC(O)C=Cc1cccc(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c1-2-5-15(22)10-9-14-7-3-6-13(12-14)8-4-11-21-16(23)17(18,19)20/h3,6-7,9-10,12,15,22H,2,4-5,8,11H2,1H3,(H,21,23)
InChIKeyCSPKDVOUYTXACX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.47
Rot. Bonds8

About 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide

2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide (PubChem CID 91068402) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
PubChem CID91068402
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
SMILESCCCC(O)C=Cc1cccc(CCCNC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c1-2-5-15(22)10-9-14-7-3-6-13(12-14)8-4-11-21-16(23)17(18,19)20/h3,6-7,9-10,12,15,22H,2,4-5,8,11H2,1H3,(H,21,23)
InChIKeyCSPKDVOUYTXACX-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[3-[3-(3-hydroxyoct-1-ynyl)phenyl]propyl]acetamide
CID 76624638
N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide
CID 25101193
(E)-3-(3-methylphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 108934921
N-butyl-2,2,2-trifluoroacetamide;2-(3-phenylpropylamino)acetic acid
CID 142350928
2,2,2-trifluoro-N-[3-[3-[3-hydroxy-5-methyl-3-(2-methylpropyl)hex-1-ynyl]phenyl]propyl]acetamide
CID 87082202
3-(3-methoxyphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934905
N-heptan-4-yl-3-[(E)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzamide
CID 87132456
N-[3-[3-(3-hydroxyhex-1-ynyl)phenyl]propyl]acetamide
CID 68852624
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 58723639
methyl (E,5S,6R)-5,6-dihydroxy-8-[3-[(3R)-3-hydroxyoctyl]phenyl]oct-7-enoate
CID 129271961
N-[2-(3-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 86611680
3-(3-tridecylphenyl)prop-2-enoic acid
CID 139730264

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide (CID 91068402) is 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide is CCCC(O)C=Cc1cccc(CCCNC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide?
The InChIKey is CSPKDVOUYTXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-2-5-15(22)10-9-14-7-3-6-13(12-14)8-4-11-21-16(23)17(18,19)20/h3,6-7,9-10,12,15,22H,2,4-5,8,11H2,1H3,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide?
2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide has a molecular weight of 329.36 g/mol, XLogP of 3.47, 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-hydroxyhex-1-enyl)phenyl]propyl]acetamide is sourced from PubChem (CID 91068402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).