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

C14H26F3NO — CID 87943208

IUPACN,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide
SMILESCCCCCCC(C)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-8-9-10-11-13(4,14(15,16)17)12(19)18(6-2)7-3/h5-11H2,1-4H3
InChIKeyLFKYDQHLJRVTJX-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.39
Rot. Bonds8

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

N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide (PubChem CID 87943208) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide
PubChem CID87943208
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide
SMILESCCCCCCC(C)(C(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-5-8-9-10-11-13(4,14(15,16)17)12(19)18(6-2)7-3/h5-11H2,1-4H3
InChIKeyLFKYDQHLJRVTJX-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 101279101
7-(diethylcarbamoyl)tridecan-7-ylphosphonic acid
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CID 135141337
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79796969
2-methyloctan-2-yl 2,2,2-trifluoroacetate
CID 131843846
2-amino-N,N-dibutyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796610
2,2-dimethyldodecanoyl chloride
CID 15656432
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide?
The IUPAC name of N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide (CID 87943208) is N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide.
What is the SMILES notation for N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide?
The canonical SMILES for N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide is CCCCCCC(C)(C(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide?
The InChIKey is LFKYDQHLJRVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-8-9-10-11-13(4,14(15,16)17)12(19)18(6-2)7-3/h5-11H2,1-4H3.
What are the key properties of N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide?
N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide has a molecular weight of 281.36 g/mol, XLogP of 4.39, 8 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)octanamide is sourced from PubChem (CID 87943208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).