N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide

C12H12F3NO — CID 177439804

IUPACN-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C12H12F3NO/c1-8-4-3-5-10(6-8)11(16-9(2)17)7-12(13,14)15/h3-7H,1-2H3,(H,16,17)/b11-7+
InChIKeyOJDPXMHLIPBDNH-YRNVUSSQSA-N
MW243.23 g/mol
LogP3.03
Rot. Bonds2

About N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide

N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide (PubChem CID 177439804) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide
PubChem CID177439804
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(F)(F)F)c1cccc(C)c1
InChIInChI=1S/C12H12F3NO/c1-8-4-3-5-10(6-8)11(16-9(2)17)7-12(13,14)15/h3-7H,1-2H3,(H,16,17)/b11-7+
InChIKeyOJDPXMHLIPBDNH-YRNVUSSQSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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S-(trifluoromethyl) 3-methylbenzenecarbothioate
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2,2-difluoro-3-methyl-1-(3-methylphenyl)butan-1-one
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N-(4-acetamidophenyl)-3-methylbenzamide
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(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
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(3-methylbenzoyl)azanium
CID 153183849
ethane;1-(3-methylphenyl)ethanone;molecular hydrogen
CID 143647766
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
CID 57353749
3-methylbenzenecarboselenoic Se-acid
CID 166513879

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide?
The IUPAC name of N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide (CID 177439804) is N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide is CC(=O)N/C(=C/C(F)(F)F)c1cccc(C)c1.
What is the InChIKey of N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide?
The InChIKey is OJDPXMHLIPBDNH-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-8-4-3-5-10(6-8)11(16-9(2)17)7-12(13,14)15/h3-7H,1-2H3,(H,16,17)/b11-7+.
What are the key properties of N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide?
N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide has a molecular weight of 243.23 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide is sourced from PubChem (CID 177439804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).