(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C15H16F3NO — CID 138384123

IUPAC(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCC12CC1CN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C15H16F3NO/c1-2-14-7-10(14)8-19(9-14)13(20)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3
InChIKeyVKUANOCQKUEAJM-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.58
Rot. Bonds2

About (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 138384123) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID138384123
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCCC12CC1CN(C(=O)c1ccccc1C(F)(F)F)C2
InChIInChI=1S/C15H16F3NO/c1-2-14-7-10(14)8-19(9-14)13(20)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3
InChIKeyVKUANOCQKUEAJM-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
N-methyl-2-[2-(trifluoromethyl)benzoyl]-2-azaspiro[4.4]nonane-4-carboxamide
CID 71836675
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 66212172
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
1-ethyl-4-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)pyridin-2-one
CID 138387519
1-[3-ethyl-3-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 91925131
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 138384123) is (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone is CCC12CC1CN(C(=O)c1ccccc1C(F)(F)F)C2.
What is the InChIKey of (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VKUANOCQKUEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-2-14-7-10(14)8-19(9-14)13(20)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3.
What are the key properties of (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 283.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 138384123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).