N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3NO — CID 58573107

IUPACN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@@H](CN(CC(F)(F)F)C(C)=O)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyBXFDCMPACQOLKV-JTQLQIEISA-N
MW253.31 g/mol
LogP3.47
Rot. Bonds4

About N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide

N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58573107) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58573107
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@@H](CN(CC(F)(F)F)C(C)=O)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyBXFDCMPACQOLKV-JTQLQIEISA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 58573107) is N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide is CC[C@@H](CN(CC(F)(F)F)C(C)=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXFDCMPACQOLKV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22F3NO/c1-6-10(11(3,4)5)7-16(9(2)17)8-12(13,14)15/h10H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-ethyl-3,3-dimethylbutyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58573107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).