2,2-difluoro-2-(oxan-4-yl)acetaldehyde

C7H10F2O2 — CID 105432294

IUPAC2,2-difluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=CC(F)(F)C1CCOCC1
InChIInChI=1S/C7H10F2O2/c8-7(9,5-10)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyISKQXGFGMAQMHF-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.25
Rot. Bonds2

About 2,2-difluoro-2-(oxan-4-yl)acetaldehyde

2,2-difluoro-2-(oxan-4-yl)acetaldehyde (PubChem CID 105432294) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(oxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(oxan-4-yl)acetaldehyde
PubChem CID105432294
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2,2-difluoro-2-(oxan-4-yl)acetaldehyde
SMILESO=CC(F)(F)C1CCOCC1
InChIInChI=1S/C7H10F2O2/c8-7(9,5-10)6-1-3-11-4-2-6/h5-6H,1-4H2
InChIKeyISKQXGFGMAQMHF-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Oxan-4-yl)acetaldehyde
CID 17750943
4-(Difluoromethyl)oxane-4-carbaldehyde
CID 84764730
2-Fluoro-2-(oxan-4-yl)acetaldehyde
CID 55266437
3-Fluorooxane-4-carbaldehyde
CID 123315617
(2R)-2-fluoro-2-(oxan-4-yl)acetaldehyde
CID 126741973
2-Fluorooxane-4-carbaldehyde
CID 140568627
4-(Trifluoromethyl)oxan-2-one
CID 83816030
2-(4-Fluorooxan-4-yl)acetaldehyde
CID 84649088
2,2-Difluoro-2-(oxolan-3-yl)acetaldehyde
CID 105429381
2,2-Difluoro-2-(oxan-3-yl)acetaldehyde
CID 105432293
2,2-Difluoro-3-(oxan-4-yl)propanal
CID 105437313
(4R)-4-(difluoromethyl)oxan-2-one
CID 159374701

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(oxan-4-yl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(oxan-4-yl)acetaldehyde (CID 105432294) is 2,2-difluoro-2-(oxan-4-yl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(oxan-4-yl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(oxan-4-yl)acetaldehyde is O=CC(F)(F)C1CCOCC1.
What is the InChIKey of 2,2-difluoro-2-(oxan-4-yl)acetaldehyde?
The InChIKey is ISKQXGFGMAQMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-7(9,5-10)6-1-3-11-4-2-6/h5-6H,1-4H2.
What are the key properties of 2,2-difluoro-2-(oxan-4-yl)acetaldehyde?
2,2-difluoro-2-(oxan-4-yl)acetaldehyde has a molecular weight of 164.15 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(oxan-4-yl)acetaldehyde is sourced from PubChem (CID 105432294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).