2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide

C14H16F3NO2 — CID 86661753

IUPAC2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide
SMILESC[C@H](C=CCOCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-11(18-13(19)14(15,16)17)6-5-9-20-10-12-7-3-2-4-8-12/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUPJDZPYSTBCMFS-LLVKDONJSA-N
MW287.28 g/mol
LogP2.83
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide (PubChem CID 86661753) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide
PubChem CID86661753
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide
SMILESC[C@H](C=CCOCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-11(18-13(19)14(15,16)17)6-5-9-20-10-12-7-3-2-4-8-12/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUPJDZPYSTBCMFS-LLVKDONJSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 1716417
Benzyl N-[(isopropylcarbamoyl)methyl]carbamate
CID 10729350
(4-fluorophenyl)methyl N-(2,2,2-trifluoroethyl)carbamate
CID 935554
benzyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 2836454
(3,3,3-Trifluoro-1-isopropyl-2-oxo-propyl)-carbamic acid benzyl ester
CID 18801003
3,3,3-trifluoro-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 51082979
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
tert-butyl N-[(2S)-4,4,4-trifluoro-1-phenylmethoxybutan-2-yl]carbamate
CID 11002115
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-[(3R)-hex-5-en-3-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737561
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1S)-1-phenylbut-3-enoxy]propan-2-yl]acetamide
CID 15737566
2,2,2-trifluoro-N-[(1R,2R)-1-[(4R)-non-1-en-4-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 101946841

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide (CID 86661753) is 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide is C[C@H](C=CCOCc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide?
The InChIKey is UPJDZPYSTBCMFS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-11(18-13(19)14(15,16)17)6-5-9-20-10-12-7-3-2-4-8-12/h2-8,11H,9-10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 2.83, 6 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-[(2R)-5-phenylmethoxypent-3-en-2-yl]acetamide is sourced from PubChem (CID 86661753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).