N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane

C14H20F3NO — CID 145338860

IUPACN-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane
SMILESCC.Cc1ccc(C)c(CN(C=O)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.C2H6/c1-9-3-4-10(2)11(5-9)6-16(8-17)7-12(13,14)15;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3
InChIKeyJCUITIGFJMXUDB-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.85
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane

N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane (PubChem CID 145338860) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane
PubChem CID145338860
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane
SMILESCC.Cc1ccc(C)c(CN(C=O)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO.C2H6/c1-9-3-4-10(2)11(5-9)6-16(8-17)7-12(13,14)15;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3
InChIKeyJCUITIGFJMXUDB-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclopentane;N-[(2,5-dimethylphenyl)methyl]-N-methylformamide;ethane;methanol
CID 145338686
1-[(2,5-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 78963628
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
N'-[(2,5-dimethylphenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668044
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
2-[(2-chloro-4-methylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485767
N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide
CID 145338580
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
3-[(2,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 61481727
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane (CID 145338860) is N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane is CC.Cc1ccc(C)c(CN(C=O)CC(F)(F)F)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane?
The InChIKey is JCUITIGFJMXUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.C2H6/c1-9-3-4-10(2)11(5-9)6-16(8-17)7-12(13,14)15;1-2/h3-5,8H,6-7H2,1-2H3;1-2H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane?
N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane has a molecular weight of 275.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-N-(2,2,2-trifluoroethyl)formamide;ethane is sourced from PubChem (CID 145338860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).