N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

C14H16F3NO — CID 134963662

IUPACN-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESC=C[C@@H](C)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-3-11(2)18(13(19)14(15,16)17)10-9-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m1/s1
InChIKeyDUXZTRVALWJJIC-LLVKDONJSA-N
MW271.28 g/mol
LogP3.19
Rot. Bonds5

About N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide

N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (PubChem CID 134963662) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
PubChem CID134963662
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
SMILESC=C[C@@H](C)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-3-11(2)18(13(19)14(15,16)17)10-9-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m1/s1
InChIKeyDUXZTRVALWJJIC-LLVKDONJSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide (CID 134963662) is N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is C=C[C@@H](C)N(CCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
The InChIKey is DUXZTRVALWJJIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-3-11(2)18(13(19)14(15,16)17)10-9-12-7-5-4-6-8-12/h3-8,11H,1,9-10H2,2H3/t11-/m1/s1.
What are the key properties of N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide?
N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-but-3-en-2-yl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 134963662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).