2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide

C12H14F3NO — CID 68627712

IUPAC2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-3-11(2,10(16)17)8-6-4-5-7-9(8)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyIJWHDJRDNXQWGD-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide

2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 68627712) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID68627712
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C)(C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-3-11(2,10(16)17)8-6-4-5-7-9(8)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17)
InChIKeyIJWHDJRDNXQWGD-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
2-methyl-2-[2-(trifluoromethyl)anilino]propanamide
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1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
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ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
CID 60786030
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636
4-amino-3-methyl-3-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 66099188
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
N,N-diethylethanamine;2-(trifluoromethyl)benzenesulfonic acid
CID 175841862
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
2-[3-[2-(trifluoromethyl)phenyl]phosphanylpentan-3-yl]phenol
CID 71040212
[2-(trifluoromethyl)anilino]urea
CID 141255172
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide (CID 68627712) is 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide is CCC(C)(C(N)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is IJWHDJRDNXQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-11(2,10(16)17)8-6-4-5-7-9(8)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17).
What are the key properties of 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide?
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 245.24 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 68627712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).