2,3,3-trifluoro-N-methyl-N-phenylpropanamide

C10H10F3NO — CID 174784767

IUPAC2,3,3-trifluoro-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)C(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-14(7-5-3-2-4-6-7)10(15)8(11)9(12)13/h2-6,8-9H,1H3
InChIKeyKXELKGAWVORUPX-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.25
Rot. Bonds3

About 2,3,3-trifluoro-N-methyl-N-phenylpropanamide

2,3,3-trifluoro-N-methyl-N-phenylpropanamide (PubChem CID 174784767) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,3,3-trifluoro-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2,3,3-trifluoro-N-methyl-N-phenylpropanamide
PubChem CID174784767
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,3,3-trifluoro-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)C(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-14(7-5-3-2-4-6-7)10(15)8(11)9(12)13/h2-6,8-9H,1H3
InChIKeyKXELKGAWVORUPX-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-[1-hydroxy-2-(N-methylanilino)-2-oxoethyl]sulfanyl-N-methyl-N-phenylacetamide
CID 68882246
N-methyl-N-phenyl-2-sulfanylsulfonodithioylpropanamide
CID 59650840
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
N-acetyl-2,2-difluoro-N-phenylacetamide
CID 175560848
4-amino-N,2-dimethyl-N-phenyl-4-sulfanylidenebutanamide
CID 82116786
N-methyl-2-[methyl(methylsulfonyl)amino]-N,2-diphenylacetamide
CID 133224661
formic acid;methyl(phenyl)carbamic acid
CID 161284118
1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
2-cyclopropyl-2-(4-fluorophenyl)-N-methyl-N-phenylacetamide
CID 110355956
2-butylsulfanyl-N-methyl-N-phenylpropanamide
CID 78762085
(2S)-2-[(S)-(2-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599423
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-N-methyl-N-phenylpropanamide?
The IUPAC name of 2,3,3-trifluoro-N-methyl-N-phenylpropanamide (CID 174784767) is 2,3,3-trifluoro-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 2,3,3-trifluoro-N-methyl-N-phenylpropanamide?
The canonical SMILES for 2,3,3-trifluoro-N-methyl-N-phenylpropanamide is CN(C(=O)C(F)C(F)F)c1ccccc1.
What is the InChIKey of 2,3,3-trifluoro-N-methyl-N-phenylpropanamide?
The InChIKey is KXELKGAWVORUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14(7-5-3-2-4-6-7)10(15)8(11)9(12)13/h2-6,8-9H,1H3.
What are the key properties of 2,3,3-trifluoro-N-methyl-N-phenylpropanamide?
2,3,3-trifluoro-N-methyl-N-phenylpropanamide has a molecular weight of 217.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 174784767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).