N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17F3N2O2 — CID 103209753

IUPACN-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCCC1CCCN1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-3-8-2-1-4-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyOWZJHHZXJIDPHW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.82
Rot. Bonds6

About N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209753) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209753
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCCC1CCCN1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-3-8-2-1-4-14-8/h8,14H,1-7H2,(H,15,16)
InChIKeyOWZJHHZXJIDPHW-UHFFFAOYSA-N
XLogP0.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(2-pyrrolidin-2-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114793758
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206941
2-phenoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]acetamide
CID 104971951
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
N-(piperidin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113265453
3-methyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 83619295
N-(morpholin-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103548442
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119898449

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209753) is N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCCC1CCCN1.
What is the InChIKey of N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OWZJHHZXJIDPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-6-9(16)15-5-3-8-2-1-4-14-8/h8,14H,1-7H2,(H,15,16).
What are the key properties of N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).