3,3-difluoro-1-propan-2-ylazetidine

C6H11F2N — CID 59671123

IUPAC3,3-difluoro-1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-5(2)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3
InChIKeyZYBGAMKVRIXRDI-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.35
Rot. Bonds1

About 3,3-difluoro-1-propan-2-ylazetidine

3,3-difluoro-1-propan-2-ylazetidine (PubChem CID 59671123) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylazetidine
PubChem CID59671123
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3,3-difluoro-1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-5(2)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3
InChIKeyZYBGAMKVRIXRDI-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine (CID 59671123) is 3,3-difluoro-1-propan-2-ylazetidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylazetidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylazetidine is CC(C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylazetidine?
The InChIKey is ZYBGAMKVRIXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-5(2)9-3-6(7,8)4-9/h5H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylazetidine?
3,3-difluoro-1-propan-2-ylazetidine has a molecular weight of 135.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylazetidine is sourced from PubChem (CID 59671123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).