1-(2,2-difluoroethyl)-2-methylaziridine

C5H9F2N — CID 126663981

IUPAC1-(2,2-difluoroethyl)-2-methylaziridine
SMILESCC1CN1CC(F)F
InChIInChI=1S/C5H9F2N/c1-4-2-8(4)3-5(6)7/h4-5H,2-3H2,1H3
InChIKeyOUKMRCQRKCPZQP-UHFFFAOYSA-N
MW121.13 g/mol
LogP0.96
Rot. Bonds2

About 1-(2,2-difluoroethyl)-2-methylaziridine

1-(2,2-difluoroethyl)-2-methylaziridine (PubChem CID 126663981) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-methylaziridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-methylaziridine
PubChem CID126663981
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1-(2,2-difluoroethyl)-2-methylaziridine
SMILESCC1CN1CC(F)F
InChIInChI=1S/C5H9F2N/c1-4-2-8(4)3-5(6)7/h4-5H,2-3H2,1H3
InChIKeyOUKMRCQRKCPZQP-UHFFFAOYSA-N
XLogP0.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.96
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-(2,2-difluoroethyl)-2-methylaziridine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-methylaziridine (CID 126663981) is 1-(2,2-difluoroethyl)-2-methylaziridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-methylaziridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-methylaziridine is CC1CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-methylaziridine?
The InChIKey is OUKMRCQRKCPZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4-2-8(4)3-5(6)7/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-methylaziridine?
1-(2,2-difluoroethyl)-2-methylaziridine has a molecular weight of 121.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-methylaziridine is sourced from PubChem (CID 126663981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).