2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide

C18H24F3NO2 — CID 10712398

IUPAC2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@](C)(CC)O[C@@H](c1ccccc1)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO2/c1-5-12-17(4,6-2)24-15(14-10-8-7-9-11-14)13(3)22-16(23)18(19,20)21/h5,7-11,13,15H,1,6,12H2,2-4H3,(H,22,23)/t13-,15+,17+/m0/s1
InChIKeyFXHONEFMAFIFIH-YSVLISHTSA-N
MW343.39 g/mol
LogP4.56
Rot. Bonds8

About 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide

2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide (PubChem CID 10712398) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
PubChem CID10712398
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
SMILESC=CC[C@@](C)(CC)O[C@@H](c1ccccc1)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H24F3NO2/c1-5-12-17(4,6-2)24-15(14-10-8-7-9-11-14)13(3)22-16(23)18(19,20)21/h5,7-11,13,15H,1,6,12H2,2-4H3,(H,22,23)/t13-,15+,17+/m0/s1
InChIKeyFXHONEFMAFIFIH-YSVLISHTSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenmetrazine
CID 4762
Phenmetrazine Hydrochloride
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CID 10173872
5-Methyl-6-phenyl-3-morpholinone
CID 21789
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481
N-cyclooctyl-2-methoxy-2-phenylacetamide
CID 2921709
N-Acetyl-N-desmethyldiphenhydramine
CID 86155091
Levophacetoperane
CID 15706387
Fludorex
CID 27139
Flumetramide
CID 23512

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide (CID 10712398) is 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide is C=CC[C@@](C)(CC)O[C@@H](c1ccccc1)[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
The InChIKey is FXHONEFMAFIFIH-YSVLISHTSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-5-12-17(4,6-2)24-15(14-10-8-7-9-11-14)13(3)22-16(23)18(19,20)21/h5,7-11,13,15H,1,6,12H2,2-4H3,(H,22,23)/t13-,15+,17+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S,2S)-1-[(3R)-3-methylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 10712398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).