(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine

C12H14F3N — CID 10878939

IUPAC(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
SMILESCCN1C[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N/c1-2-16-8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,11H,2,7-8H2,1H3/t11-,16?/m1/s1
InChIKeyOSOGRNRAJGAWFB-ZVDHGWRTSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds3

About (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine

(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine (PubChem CID 10878939) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine.

Molecular Properties

Compound Name(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
PubChem CID10878939
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
SMILESCCN1C[C@H]1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N/c1-2-16-8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,11H,2,7-8H2,1H3/t11-,16?/m1/s1
InChIKeyOSOGRNRAJGAWFB-ZVDHGWRTSA-N
XLogP2.95
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773
tert-butyl 2,2-dioxo-4-[[3-(trifluoromethyl)phenyl]methyl]oxathiazolidine-3-carboxylate
CID 87254282
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 50905469
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
1-[3-(1-methylazetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 68780309
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
(3aR,6aS)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665429
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421

Frequently Asked Questions

What is the IUPAC name of (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine?
The IUPAC name of (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine (CID 10878939) is (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine.
What is the SMILES notation for (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine?
The canonical SMILES for (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine is CCN1C[C@H]1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine?
The InChIKey is OSOGRNRAJGAWFB-ZVDHGWRTSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-16-8-11(16)7-9-4-3-5-10(6-9)12(13,14)15/h3-6,11H,2,7-8H2,1H3/t11-,16?/m1/s1.
What are the key properties of (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine?
(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine has a molecular weight of 229.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine is sourced from PubChem (CID 10878939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).