N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide

C12H22F3NO — CID 87943894

IUPACN,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide
SMILESCCCCC(C)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-5-8-9-11(4,12(13,14)15)10(17)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyADBUECFWWYGRJQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.61
Rot. Bonds6

About N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide

N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide (PubChem CID 87943894) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide
PubChem CID87943894
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide
SMILESCCCCC(C)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-5-8-9-11(4,12(13,14)15)10(17)16(6-2)7-3/h5-9H2,1-4H3
InChIKeyADBUECFWWYGRJQ-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide?
The IUPAC name of N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide (CID 87943894) is N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide.
What is the SMILES notation for N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide?
The canonical SMILES for N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide is CCCCC(C)(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide?
The InChIKey is ADBUECFWWYGRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-5-8-9-11(4,12(13,14)15)10(17)16(6-2)7-3/h5-9H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide?
N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide has a molecular weight of 253.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-2-(trifluoromethyl)hexanamide is sourced from PubChem (CID 87943894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).