3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane

C15H18F3NO — CID 77169624

IUPAC3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C15H18F3NO/c16-15(17,18)10-20-9-14-12-7-19(8-13(12)14)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyQZLQHCOLTWNCOG-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.94
Rot. Bonds5

About 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane

3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 77169624) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID77169624
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)COCC1C2CN(Cc3ccccc3)CC12
InChIInChI=1S/C15H18F3NO/c16-15(17,18)10-20-9-14-12-7-19(8-13(12)14)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyQZLQHCOLTWNCOG-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
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[1-[[4-(Trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanol
CID 2842920
(1R,5S,6S)-3-benzyl-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 102491407
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((1R,5S,6R)-3-Benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methanol
CID 11571990
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CID 50950347
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3-(Cyclopropylmethoxy)-8-[(3-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 134071196
7-[(3,4-Difluorophenyl)methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 136540584
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CID 164633921

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane (CID 77169624) is 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)COCC1C2CN(Cc3ccccc3)CC12.
What is the InChIKey of 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is QZLQHCOLTWNCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)10-20-9-14-12-7-19(8-13(12)14)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2.
What are the key properties of 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane?
3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 285.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(2,2,2-trifluoroethoxymethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 77169624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).