1-propan-2-yl-2-(trifluoromethyl)aziridine

C6H10F3N — CID 166046410

IUPAC1-propan-2-yl-2-(trifluoromethyl)aziridine
SMILESCC(C)N1CC1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-3-5(10)6(7,8)9/h4-5H,3H2,1-2H3
InChIKeyAZTUKEQOFZYAEO-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.64
Rot. Bonds1

About 1-propan-2-yl-2-(trifluoromethyl)aziridine

1-propan-2-yl-2-(trifluoromethyl)aziridine (PubChem CID 166046410) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-propan-2-yl-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name1-propan-2-yl-2-(trifluoromethyl)aziridine
PubChem CID166046410
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1-propan-2-yl-2-(trifluoromethyl)aziridine
SMILESCC(C)N1CC1C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-3-5(10)6(7,8)9/h4-5H,3H2,1-2H3
InChIKeyAZTUKEQOFZYAEO-UHFFFAOYSA-N
XLogP1.64
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.64
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-Isopropyl-N-(trifluoromethyl)-2-propanamine
CID 15105666
aziridine, N-ethyl-cis-2,3-dimethyl-
CID 129654348
aziridine, N-ethyl-trans-2,3-dimethyl-
CID 171383942
Meth-ylene diethylamine
CID 20705517
(2R,3R)-1,2,3-trimethylaziridine
CID 22212559
(2S,3R)-1,2,3-trimethylaziridine
CID 101669610
N-(difluoromethyl)-N-propan-2-ylpropan-2-amine
CID 10441872
1-Methyl-2-(trifluoromethyl)aziridine
CID 14965861
1-(1-Fluoropropyl)aziridine
CID 20387221
N-methyl-N-(trifluoromethyl)cyclopropanamine
CID 20505660
N-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 58378547
(2S)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)aziridine
CID 59459568

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)aziridine?
The IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)aziridine (CID 166046410) is 1-propan-2-yl-2-(trifluoromethyl)aziridine.
What is the SMILES notation for 1-propan-2-yl-2-(trifluoromethyl)aziridine?
The canonical SMILES for 1-propan-2-yl-2-(trifluoromethyl)aziridine is CC(C)N1CC1C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-2-(trifluoromethyl)aziridine?
The InChIKey is AZTUKEQOFZYAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(2)10-3-5(10)6(7,8)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-(trifluoromethyl)aziridine?
1-propan-2-yl-2-(trifluoromethyl)aziridine has a molecular weight of 153.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 166046410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).