N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide

C8H11F3N2O — CID 59444331

IUPACN-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1NC[C@@H]2C[C@@H]21)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-3-6-5-1-4(5)2-12-6/h4-6,12H,1-3H2,(H,13,14)/t4-,5-,6+/m0/s1
InChIKeyFVKWMTMGFITNOT-HCWXCVPCSA-N
MW208.18 g/mol
LogP0.27
Rot. Bonds2

About N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide

N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 59444331) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide
PubChem CID59444331
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC[C@H]1NC[C@@H]2C[C@@H]21)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-3-6-5-1-4(5)2-12-6/h4-6,12H,1-3H2,(H,13,14)/t4-,5-,6+/m0/s1
InChIKeyFVKWMTMGFITNOT-HCWXCVPCSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
rac-2,2,2-trifluoro-N-[(2R,3S,4S)-4-methyl-2-(trifluoromethyl)piperidin-3-yl]acetamide
CID 136589257
N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide
CID 19429318
N-(2-azabicyclo[2.2.1]heptan-3-ylmethyl)-2,2,2-trifluoroacetamide
CID 58102341
1-[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-2,2,2-trifluoroethanone
CID 58488065
3-Trifluoroacetyl-3,6-diazabicyclo[3.2.1]octane
CID 58488082
(1R*,2S*,5S*)-2-[(2,2,2-trifluoro-acetylamino)-methyl]-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester
CID 59153368
N-[(1R*,2S*,5S*)-3-aza-bicyclo[3.1.0]hex-2-ylmethyl]-2,2,2-trifluoro-acetamide
CID 59153397
(1S,2S,5R)-2-[(2,2,2-Trifluoro-acetylamino)-methyl]-3-aza-bicyclo[3.1.0]hexane-3-carboxylic Acid Tert-butyl Ester
CID 59444338
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(2,2-difluorocyclopropyl)methanone
CID 67130766
N-(3-azabicyclo[3.1.0]hexan-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 76542722

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide (CID 59444331) is N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide is O=C(NC[C@H]1NC[C@@H]2C[C@@H]21)C(F)(F)F.
What is the InChIKey of N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is FVKWMTMGFITNOT-HCWXCVPCSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7(14)13-3-6-5-1-4(5)2-12-6/h4-6,12H,1-3H2,(H,13,14)/t4-,5-,6+/m0/s1.
What are the key properties of N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide?
N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 208.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,5R)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59444331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).