1-methyl-2,2-bis(trifluoromethyl)aziridine

C5H5F6N — CID 533568

IUPAC1-methyl-2,2-bis(trifluoromethyl)aziridine
SMILESCN1CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-12-2-3(12,4(6,7)8)5(9,10)11/h2H2,1H3
InChIKeyLPPJLRNMCHYBKI-UHFFFAOYSA-N
MW193.09 g/mol
LogP1.80
Rot. Bonds

About 1-methyl-2,2-bis(trifluoromethyl)aziridine

1-methyl-2,2-bis(trifluoromethyl)aziridine (PubChem CID 533568) has the molecular formula C5H5F6N and a molecular weight of 193.09 g/mol. Its IUPAC name is 1-methyl-2,2-bis(trifluoromethyl)aziridine.

Molecular Properties

Compound Name1-methyl-2,2-bis(trifluoromethyl)aziridine
PubChem CID533568
Molecular FormulaC5H5F6N
Molecular Weight193.09 g/mol
Exact Mass193.03
IUPAC Name1-methyl-2,2-bis(trifluoromethyl)aziridine
SMILESCN1CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-12-2-3(12,4(6,7)8)5(9,10)11/h2H2,1H3
InChIKeyLPPJLRNMCHYBKI-UHFFFAOYSA-N
XLogP1.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 51.80
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

1,2,4-trimethyl-2-(trifluoromethyl)piperazine
CID 166534974
1,2-dimethyl-2-(trifluoromethyl)pyrrolidine
CID 166688559
1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
CID 126986369
2-[2,2-bis(trifluoromethyl)aziridin-1-yl]oxy-2-methylpropanediamide
CID 560273
2,2-dimethyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 83681982
1-methyl-1-azaspiro[2.2]pentane
CID 20516490
3-fluoro-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 166826440
(3R)-1,2,2-trimethyl-3-(trifluoromethoxy)pyrrolidine
CID 166870121
3-fluoro-1,3-dimethylazetidine
CID 89296536
N,1-dimethyl-4-(trifluoromethyl)piperidin-4-amine
CID 66206567
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
CID 176557306
2-methyl-7-(trifluoromethyl)-2-azaspiro[3.3]heptane
CID 177232347

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-bis(trifluoromethyl)aziridine?
The IUPAC name of 1-methyl-2,2-bis(trifluoromethyl)aziridine (CID 533568) is 1-methyl-2,2-bis(trifluoromethyl)aziridine.
What is the SMILES notation for 1-methyl-2,2-bis(trifluoromethyl)aziridine?
The canonical SMILES for 1-methyl-2,2-bis(trifluoromethyl)aziridine is CN1CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-methyl-2,2-bis(trifluoromethyl)aziridine?
The InChIKey is LPPJLRNMCHYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N/c1-12-2-3(12,4(6,7)8)5(9,10)11/h2H2,1H3.
What are the key properties of 1-methyl-2,2-bis(trifluoromethyl)aziridine?
1-methyl-2,2-bis(trifluoromethyl)aziridine has a molecular weight of 193.09 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-bis(trifluoromethyl)aziridine is sourced from PubChem (CID 533568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).