N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

C12H14F3NO — CID 129412239

IUPACN-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRWLOAVHQFMLDTC-LLVKDONJSA-N
MW245.24 g/mol
LogP3.12
Rot. Bonds3

About N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide

N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (PubChem CID 129412239) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
PubChem CID129412239
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRWLOAVHQFMLDTC-LLVKDONJSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[(1R)-3,3,3-trifluoro-1-(3-formylphenyl)propyl]acetamide
CID 129412242
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 124640511
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
(3R)-3-(4-methylphenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 7084661
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(2,3,6-trimethylphenyl) 3-acetamido-3-(4-methylphenyl)propanoate
CID 24593104

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide (CID 129412239) is N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is CC(=O)N[C@H](CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is RWLOAVHQFMLDTC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-3-5-10(6-4-8)11(16-9(2)17)7-12(13,14)15/h3-6,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide?
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 129412239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).