1-(2,2-difluoroethyl)-3-methylazetidine

C6H11F2N — CID 89426154

IUPAC1-(2,2-difluoroethyl)-3-methylazetidine
SMILESCC1CN(CC(F)F)C1
InChIInChI=1S/C6H11F2N/c1-5-2-9(3-5)4-6(7)8/h5-6H,2-4H2,1H3
InChIKeyBGXXKDMEOKSLIL-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.20
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylazetidine

1-(2,2-difluoroethyl)-3-methylazetidine (PubChem CID 89426154) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylazetidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylazetidine
PubChem CID89426154
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-(2,2-difluoroethyl)-3-methylazetidine
SMILESCC1CN(CC(F)F)C1
InChIInChI=1S/C6H11F2N/c1-5-2-9(3-5)4-6(7)8/h5-6H,2-4H2,1H3
InChIKeyBGXXKDMEOKSLIL-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylazetidine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylazetidine (CID 89426154) is 1-(2,2-difluoroethyl)-3-methylazetidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylazetidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylazetidine is CC1CN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylazetidine?
The InChIKey is BGXXKDMEOKSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-5-2-9(3-5)4-6(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylazetidine?
1-(2,2-difluoroethyl)-3-methylazetidine has a molecular weight of 135.16 g/mol, XLogP of 1.20, 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)-3-methylazetidine is sourced from PubChem (CID 89426154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).