(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C8H12F3N — CID 162615953

IUPAC(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2[C@@H]1C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-12-4-5-3-6(5)7(12)8(9,10)11/h5-7H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyDLLBYCMRPBGYRQ-KPGICGJXSA-N
MW179.18 g/mol
LogP1.89
Rot. Bonds1

About (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 162615953) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID162615953
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2CC2[C@@H]1C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-2-12-4-5-3-6(5)7(12)8(9,10)11/h5-7H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyDLLBYCMRPBGYRQ-KPGICGJXSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-ethyl-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 175883924
(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
CID 117050508
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
CID 143247210
2,5-diethyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 145162242
3-tert-butyl-6-ethyl-3,6-diazabicyclo[3.2.0]heptane
CID 89161716
(2S,3S)-1-ethyl-2-(trifluoromethyl)azepane-3-carboxylic acid
CID 96592346
7-ethyl-5-methyl-7-azatricyclo[6.3.0.03,11]undecane
CID 170081976
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
(2S,4R)-4-(1,1-difluoroethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009722
(1R,5S)-2-ethyl-3-iodo-3-azabicyclo[3.1.0]hexane
CID 166840052
1-(2,6-diethylphenyl)sulfonyl-3,5-bis(trifluoromethyl)piperidine
CID 166210512

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 162615953) is (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is CCN1CC2CC2[C@@H]1C(F)(F)F.
What is the InChIKey of (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is DLLBYCMRPBGYRQ-KPGICGJXSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-12-4-5-3-6(5)7(12)8(9,10)11/h5-7H,2-4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
(2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 179.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-2-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 162615953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).