N,N-diethyl-4-(trifluoromethyl)hexanamide

C11H20F3NO — CID 87943140

IUPACN,N-diethyl-4-(trifluoromethyl)hexanamide
SMILESCCC(CCC(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-9(11(12,13)14)7-8-10(16)15(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyFUIGMZFBNDLCLZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.22
Rot. Bonds6

About N,N-diethyl-4-(trifluoromethyl)hexanamide

N,N-diethyl-4-(trifluoromethyl)hexanamide (PubChem CID 87943140) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N,N-diethyl-4-(trifluoromethyl)hexanamide.

Molecular Properties

Compound NameN,N-diethyl-4-(trifluoromethyl)hexanamide
PubChem CID87943140
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN,N-diethyl-4-(trifluoromethyl)hexanamide
SMILESCCC(CCC(=O)N(CC)CC)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-4-9(11(12,13)14)7-8-10(16)15(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyFUIGMZFBNDLCLZ-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102090199
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5-amino-N,N-diethylhexanamide
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N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
CID 97347551
5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
6-[ethyl(2-ethylbutyl)amino]-6-oxohexanoic acid
CID 43588237
4,8-bis(trifluoromethyl)undecan-6-one
CID 174927526
N,N-diethyl-2,3,3,3-tetrafluoropropanamide
CID 2774042
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 78790706
4-(2,5-difluorophenyl)-N,N-diethyl-4-hydroxybutanamide
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CID 107908425

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(trifluoromethyl)hexanamide?
The IUPAC name of N,N-diethyl-4-(trifluoromethyl)hexanamide (CID 87943140) is N,N-diethyl-4-(trifluoromethyl)hexanamide.
What is the SMILES notation for N,N-diethyl-4-(trifluoromethyl)hexanamide?
The canonical SMILES for N,N-diethyl-4-(trifluoromethyl)hexanamide is CCC(CCC(=O)N(CC)CC)C(F)(F)F.
What is the InChIKey of N,N-diethyl-4-(trifluoromethyl)hexanamide?
The InChIKey is FUIGMZFBNDLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-9(11(12,13)14)7-8-10(16)15(5-2)6-3/h9H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-4-(trifluoromethyl)hexanamide?
N,N-diethyl-4-(trifluoromethyl)hexanamide has a molecular weight of 239.28 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(trifluoromethyl)hexanamide is sourced from PubChem (CID 87943140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).