2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

C16H17F5N2O2 — CID 171787055

IUPAC2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CC1CC2C(C1)C2(F)F)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H17F5N2O2/c17-15(18,19)8-25-14-6-9(1-2-22-14)7-23-13(24)5-10-3-11-12(4-10)16(11,20)21/h1-2,6,10-12H,3-5,7-8H2,(H,23,24)
InChIKeyLPGQNTJZCFPGQC-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.32
Rot. Bonds6

About 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 171787055) has the molecular formula C16H17F5N2O2 and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
PubChem CID171787055
Molecular FormulaC16H17F5N2O2
Molecular Weight364.31 g/mol
Exact Mass364.12
IUPAC Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESO=C(CC1CC2C(C1)C2(F)F)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C16H17F5N2O2/c17-15(18,19)8-25-14-6-9(1-2-22-14)7-23-13(24)5-10-3-11-12(4-10)16(11,20)21/h1-2,6,10-12H,3-5,7-8H2,(H,23,24)
InChIKeyLPGQNTJZCFPGQC-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (CID 171787055) is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is O=C(CC1CC2C(C1)C2(F)F)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is LPGQNTJZCFPGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N2O2/c17-15(18,19)8-25-14-6-9(1-2-22-14)7-23-13(24)5-10-3-11-12(4-10)16(11,20)21/h1-2,6,10-12H,3-5,7-8H2,(H,23,24).
What are the key properties of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 364.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171787055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).