1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine

C6H5F6N — CID 22964131

IUPAC1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine
SMILESFC(F)(F)C(=CN1CC1)C(F)(F)F
InChIInChI=1S/C6H5F6N/c7-5(8,9)4(6(10,11)12)3-13-1-2-13/h3H,1-2H2
InChIKeySIPMBWPJMAHBCP-UHFFFAOYSA-N
MW205.10 g/mol
LogP2.31
Rot. Bonds1

About 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine

1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine (PubChem CID 22964131) has the molecular formula C6H5F6N and a molecular weight of 205.10 g/mol. Its IUPAC name is 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine.

Molecular Properties

Compound Name1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine
PubChem CID22964131
Molecular FormulaC6H5F6N
Molecular Weight205.10 g/mol
Exact Mass205.03
IUPAC Name1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine
SMILESFC(F)(F)C(=CN1CC1)C(F)(F)F
InChIInChI=1S/C6H5F6N/c7-5(8,9)4(6(10,11)12)3-13-1-2-13/h3H,1-2H2
InChIKeySIPMBWPJMAHBCP-UHFFFAOYSA-N
XLogP2.31
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine?
The IUPAC name of 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine (CID 22964131) is 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine.
What is the SMILES notation for 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine?
The canonical SMILES for 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine is FC(F)(F)C(=CN1CC1)C(F)(F)F.
What is the InChIKey of 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine?
The InChIKey is SIPMBWPJMAHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N/c7-5(8,9)4(6(10,11)12)3-13-1-2-13/h3H,1-2H2.
What are the key properties of 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine?
1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine has a molecular weight of 205.10 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]aziridine is sourced from PubChem (CID 22964131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).