N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide

C11H19F3N2O — CID 580958

IUPACN-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCN1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(17)15-6-9-16-7-4-2-1-3-5-8-16/h1-9H2,(H,15,17)
InChIKeyHTWPMVQGXIBRBR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds3

About N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 580958) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID580958
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCN1CCCCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)10(17)15-6-9-16-7-4-2-1-3-5-8-16/h1-9H2,(H,15,17)
InChIKeyHTWPMVQGXIBRBR-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
2-pyrrolidin-1-ylethylurea;dihydrochloride
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ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
2,2,3,3,3-pentafluoro-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 114174018
methyl 2-oxo-2-(2-piperidin-1-ylethylamino)acetate
CID 112616960
1,1,1-trifluoro-4-pyrrolidin-1-ylbutan-2-one
CID 82534998
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
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CID 61240012

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 580958) is N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCN1CCCCCCC1)C(F)(F)F.
What is the InChIKey of N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is HTWPMVQGXIBRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)10(17)15-6-9-16-7-4-2-1-3-5-8-16/h1-9H2,(H,15,17).
What are the key properties of N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 252.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 580958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).