1-benzyl-2-(trifluoromethyl)aziridine

C10H10F3N — CID 561897

IUPAC1-benzyl-2-(trifluoromethyl)aziridine
SMILESFC(F)(F)C1CN1Cc1ccccc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-7-14(9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFXTYNGNFIMWUGV-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.43
Rot. Bonds2

About 1-benzyl-2-(trifluoromethyl)aziridine

1-benzyl-2-(trifluoromethyl)aziridine (PubChem CID 561897) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-benzyl-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name1-benzyl-2-(trifluoromethyl)aziridine
PubChem CID561897
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name1-benzyl-2-(trifluoromethyl)aziridine
SMILESFC(F)(F)C1CN1Cc1ccccc1
InChIInChI=1S/C10H10F3N/c11-10(12,13)9-7-14(9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyFXTYNGNFIMWUGV-UHFFFAOYSA-N
XLogP2.43
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.43
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

N,N-Dimethylbenzylamine
CID 7681
Benzyl triethylammonium chloride
CID 66133
1-Benzyl-2,5-dihydropyrrole
CID 561506
1-(Phenylmethyl)pyrrolidine
CID 122501
Benzyltrimethylammonium
CID 5964
Benzenemethanamine, N,N,alpha-trimethyl-
CID 86536
Benzyltriethylammonium
CID 17208
N-Allyl-N-methylbenzylamine
CID 3542547
Benzenemethanamine, N,N-diethyl-
CID 61211
Dimethylbenzylamine hydrochloride
CID 519599
N-methyl-2-phenylpyrrolidine
CID 248799
(R)-(+)-N,N-Dimethyl-1-phenylethylamine
CID 103034

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(trifluoromethyl)aziridine?
The IUPAC name of 1-benzyl-2-(trifluoromethyl)aziridine (CID 561897) is 1-benzyl-2-(trifluoromethyl)aziridine.
What is the SMILES notation for 1-benzyl-2-(trifluoromethyl)aziridine?
The canonical SMILES for 1-benzyl-2-(trifluoromethyl)aziridine is FC(F)(F)C1CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(trifluoromethyl)aziridine?
The InChIKey is FXTYNGNFIMWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)9-7-14(9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 1-benzyl-2-(trifluoromethyl)aziridine?
1-benzyl-2-(trifluoromethyl)aziridine has a molecular weight of 201.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 561897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).