3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

C11H12F3NO2 — CID 54893745

IUPAC3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(10(17)6-11(12,13)14)7-8-2-4-9(16)5-3-8/h2-5,16H,6-7H2,1H3
InChIKeyBZYIXUZSJCSMOM-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.30
Rot. Bonds3

About 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide

3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (PubChem CID 54893745) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
PubChem CID54893745
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-15(10(17)6-11(12,13)14)7-8-2-4-9(16)5-3-8/h2-5,16H,6-7H2,1H3
InChIKeyBZYIXUZSJCSMOM-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960749
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
3-[3-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907769
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide (CID 54893745) is 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(O)cc1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is BZYIXUZSJCSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-15(10(17)6-11(12,13)14)7-8-2-4-9(16)5-3-8/h2-5,16H,6-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide?
3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 247.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 54893745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).