2,2-difluoro-2-(oxolan-3-yl)acetaldehyde

C6H8F2O2 — CID 105429381

IUPAC2,2-difluoro-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(F)(F)C1CCOC1
InChIInChI=1S/C6H8F2O2/c7-6(8,4-9)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyVOSJVMXKQQGRFQ-UHFFFAOYSA-N
MW150.12 g/mol
LogP0.86
Rot. Bonds2

About 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde

2,2-difluoro-2-(oxolan-3-yl)acetaldehyde (PubChem CID 105429381) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(oxolan-3-yl)acetaldehyde
PubChem CID105429381
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name2,2-difluoro-2-(oxolan-3-yl)acetaldehyde
SMILESO=CC(F)(F)C1CCOC1
InChIInChI=1S/C6H8F2O2/c7-6(8,4-9)5-1-2-10-3-5/h4-5H,1-3H2
InChIKeyVOSJVMXKQQGRFQ-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 50.86
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-(Oxolan-3-yl)acetaldehyde
CID 54111073
4-(2,2-Difluoroethyl)oxolan-2-one
CID 67255569
2,2-Difluoro-2-(oxan-4-yl)acetaldehyde
CID 105432294
trans-(1S,2S)-2-(difluoromethoxymethyl)cyclopropane-1-carbaldehyde
CID 170072113
3-(Difluoromethyl)oxolane-2-carbaldehyde
CID 174557870
2-Fluoro-2-(oxolan-3-yl)acetaldehyde
CID 105427659
2,2-Difluoro-3-(oxolan-3-yl)propanal
CID 105432289
2-[(3S)-oxolan-3-yl]acetaldehyde
CID 96644666
2-[(3R)-oxolan-3-yl]acetaldehyde
CID 96644667

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde (CID 105429381) is 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde is O=CC(F)(F)C1CCOC1.
What is the InChIKey of 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde?
The InChIKey is VOSJVMXKQQGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8,4-9)5-1-2-10-3-5/h4-5H,1-3H2.
What are the key properties of 2,2-difluoro-2-(oxolan-3-yl)acetaldehyde?
2,2-difluoro-2-(oxolan-3-yl)acetaldehyde has a molecular weight of 150.12 g/mol, XLogP of 0.86, 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-(oxolan-3-yl)acetaldehyde is sourced from PubChem (CID 105429381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).