2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide

C7H10F3NO2 — CID 124702545

IUPAC2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
SMILESC/C=C/[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+/t5-/m1/s1
InChIKeyRSNZSHHRTUXYPA-WVSAJJKCSA-N
MW197.16 g/mol
LogP0.60
Rot. Bonds3

About 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide

2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide (PubChem CID 124702545) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
PubChem CID124702545
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
SMILESC/C=C/[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+/t5-/m1/s1
InChIKeyRSNZSHHRTUXYPA-WVSAJJKCSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E,2R)-1-hydroxypent-3-en-2-yl]-2,2-dimethylpropanamide
CID 166894051
N-[(E,2R)-1-cyanopent-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 125476744
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
2,2,2-trifluoro-N-[(Z,2S)-6-hydroxyhex-3-en-2-yl]acetamide
CID 23657256
2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethyl]acetamide
CID 56927329
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 58448718
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
ethyl (E,4R)-4-[(2,2,2-trifluoroacetyl)amino]hept-2-enoate
CID 71729094
tert-butyl (E,4S)-4-[(2,2,2-trifluoroacetyl)amino]hept-2-enoate
CID 71729102
N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
CID 130723724

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide (CID 124702545) is 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide is C/C=C/[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide?
The InChIKey is RSNZSHHRTUXYPA-WVSAJJKCSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h2-3,5,12H,4H2,1H3,(H,11,13)/b3-2+/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide?
2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.60, 3 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-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide is sourced from PubChem (CID 124702545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).