2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide

C15H18F3NO2 — CID 11483456

IUPAC2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESC=C[C@H](CCC)N(C(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C15H18F3NO2/c1-4-6-11(5-2)19(14(20)15(16,17)18)12-7-9-13(21-3)10-8-12/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1
InChIKeyLCPFSTTUGFSSMJ-LLVKDONJSA-N
MW301.31 g/mol
LogP3.95
Rot. Bonds6

About 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide

2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 11483456) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID11483456
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESC=C[C@H](CCC)N(C(=O)C(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C15H18F3NO2/c1-4-6-11(5-2)19(14(20)15(16,17)18)12-7-9-13(21-3)10-8-12/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1
InChIKeyLCPFSTTUGFSSMJ-LLVKDONJSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(4-methoxyphenyl)-N-(5-methylhex-1-en-3-yl)acetamide
CID 77146558
ethyl 2-diazo-3-(4-methoxy-N-(2,2,2-trifluoroacetyl)anilino)nonanoate
CID 102255780
ethyl (4S)-4-(4-methoxy-N-(2,2,2-trifluoroacetyl)anilino)-4-methylhex-5-enoate
CID 135069490
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1R,2S,3R)-2-nitro-1,3-diphenylpentyl]acetamide
CID 53231276
N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1S,2R)-1-(4-methoxyphenyl)-2-nitro-3-phenylpropyl]acetamide
CID 59051451
1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
(Z)-4-(N-ethyl-4-methoxyanilino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 129293885
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
N-[(1R,2S,3R)-1-(4-chlorophenyl)-2-nitro-3-phenylpentyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 53231277
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 23091390
2,2,2-trifluoro-N-(4-methoxyphenyl)-N-[(1S,2R)-2-nitro-1-phenyl-3-[2-(trifluoromethyl)phenyl]propyl]acetamide
CID 59051992

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide (CID 11483456) is 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide is C=C[C@H](CCC)N(C(=O)C(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LCPFSTTUGFSSMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-4-6-11(5-2)19(14(20)15(16,17)18)12-7-9-13(21-3)10-8-12/h5,7-11H,2,4,6H2,1,3H3/t11-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide?
2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 301.31 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S)-hex-1-en-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 11483456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).