2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde

C8H13F2NO — CID 105436768

IUPAC2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde
SMILESCC(C)N1CC(C(F)(F)C=O)C1
InChIInChI=1S/C8H13F2NO/c1-6(2)11-3-7(4-11)8(9,10)5-12/h5-7H,3-4H2,1-2H3
InChIKeyVZUGOMDWENOXJP-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds3

About 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde

2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde (PubChem CID 105436768) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde
PubChem CID105436768
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde
SMILESCC(C)N1CC(C(F)(F)C=O)C1
InChIInChI=1S/C8H13F2NO/c1-6(2)11-3-7(4-11)8(9,10)5-12/h5-7H,3-4H2,1-2H3
InChIKeyVZUGOMDWENOXJP-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde (CID 105436768) is 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde is CC(C)N1CC(C(F)(F)C=O)C1.
What is the InChIKey of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde?
The InChIKey is VZUGOMDWENOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6(2)11-3-7(4-11)8(9,10)5-12/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde?
2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde is sourced from PubChem (CID 105436768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).