2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide

C12H14F3NO2 — CID 10587477

IUPAC2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCC(Cc1ccc(O)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(16(2)11(18)12(13,14)15)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyCBVGKNXELWBCIN-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.34
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide

2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide (PubChem CID 10587477) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
PubChem CID10587477
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCC(Cc1ccc(O)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-8(16(2)11(18)12(13,14)15)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3
InChIKeyCBVGKNXELWBCIN-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
2-[1-(4-hydroxyphenyl)propan-2-yl-methylamino]acetamide
CID 80505706
3-(5-hydroxypentan-2-yl)-1-[1-(4-hydroxyphenyl)propan-2-yl]-1-methylurea
CID 109390126
2,2,2-trifluoro-N'-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]acetohydrazide
CID 57010622
methyl (2S)-2-[chloro-(2,2,2-trifluoroacetyl)amino]-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 141073623
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
4-[[5-[2-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]-1,3-benzodioxol-2-yl]methylamino]-4-oxobutanoic acid
CID 22061574
3-[methyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 110834695
N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 130757893
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide (CID 10587477) is 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide is CC(Cc1ccc(O)cc1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide?
The InChIKey is CBVGKNXELWBCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(16(2)11(18)12(13,14)15)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide?
2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide has a molecular weight of 261.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]-N-methylacetamide is sourced from PubChem (CID 10587477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).