2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide

C14H16F3NO3 — CID 135125596

IUPAC2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide
SMILESCOCCC(=O)c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-9(18-13(20)14(15,16)17)10-3-5-11(6-4-10)12(19)7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyFJEOXDWLUOJYMM-VIFPVBQESA-N
MW303.28 g/mol
LogP2.65
Rot. Bonds6

About 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide

2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide (PubChem CID 135125596) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide
PubChem CID135125596
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide
SMILESCOCCC(=O)c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO3/c1-9(18-13(20)14(15,16)17)10-3-5-11(6-4-10)12(19)7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,18,20)/t9-/m0/s1
InChIKeyFJEOXDWLUOJYMM-VIFPVBQESA-N
XLogP2.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]acetamide
CID 21035206
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
tert-butyl 4-[3-methoxy-1-[4-[(1S)-1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]propyl]piperazine-1-carboxylate
CID 135142310
3-methoxy-1-phenylpropan-1-one
CID 10942788
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
2,2,2-trifluoro-N-[1-(3-methoxy-5-methylphenyl)ethyl]acetamide
CID 118337236
(2,2,2-trifluoroacetyl) 4-[2-methoxy-4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenoxy]butanoate
CID 89330866
2,2,2-trifluoro-N-[(1S)-1-(4-formyl-3-methoxyphenyl)ethyl]acetamide
CID 118337551
N-[1-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108796278
N-[(1S)-1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 58651376
N-[1-[4-(4-chlorophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
CID 21035256

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide (CID 135125596) is 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide is COCCC(=O)c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide?
The InChIKey is FJEOXDWLUOJYMM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(18-13(20)14(15,16)17)10-3-5-11(6-4-10)12(19)7-8-21-2/h3-6,9H,7-8H2,1-2H3,(H,18,20)/t9-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide?
2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1S)-1-[4-(3-methoxypropanoyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 135125596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).