2-(5,5-difluorooxan-2-yl)-2-methylpropanal

C9H14F2O2 — CID 134421225

IUPAC2-(5,5-difluorooxan-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1CCC(F)(F)CO1
InChIInChI=1S/C9H14F2O2/c1-8(2,5-12)7-3-4-9(10,11)6-13-7/h5,7H,3-4,6H2,1-2H3
InChIKeyDBMYDXIKKWWBLC-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.03
Rot. Bonds2

About 2-(5,5-difluorooxan-2-yl)-2-methylpropanal

2-(5,5-difluorooxan-2-yl)-2-methylpropanal (PubChem CID 134421225) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-(5,5-difluorooxan-2-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(5,5-difluorooxan-2-yl)-2-methylpropanal
PubChem CID134421225
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name2-(5,5-difluorooxan-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1CCC(F)(F)CO1
InChIInChI=1S/C9H14F2O2/c1-8(2,5-12)7-3-4-9(10,11)6-13-7/h5,7H,3-4,6H2,1-2H3
InChIKeyDBMYDXIKKWWBLC-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.03
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-Methyl-2-(oxan-2-yl)propanal
CID 84716620
4,4-Difluoro-5-methyl-5-(oxan-2-yl)hexanal
CID 57108830
Methyl 2-(5,5-difluorooxan-2-yl)-2-methylpropanoate
CID 89686599
2-(5,5-Difluorooxan-2-yl)-2,4-dimethylpentan-3-one
CID 89692476
1,1-Difluoro-3-methyl-1-(oxan-2-yl)butan-2-one
CID 89692590
3-(5,5-Difluorooxan-2-yl)-3-methylbutan-2-one
CID 89694475
2-(5,5-Difluorooxan-2-yl)-2-methylpentan-3-one
CID 130457263
2-(5,5-Difluorooxan-2-yl)-2,4-dimethylhexan-3-one
CID 130457264
2,2-difluoro-3-[(2R,5S)-5-methyloxan-2-yl]propanal
CID 134353028
3-(4,4-Difluorooxolan-2-yl)-2,2-dimethylpropanal
CID 165573525
3-(2,2-Difluoropropyl)oxane-3-carbaldehyde
CID 165590972
2-(Oxan-2-yl)propanal
CID 12955157

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-difluorooxan-2-yl)-2-methylpropanal?
The IUPAC name of 2-(5,5-difluorooxan-2-yl)-2-methylpropanal (CID 134421225) is 2-(5,5-difluorooxan-2-yl)-2-methylpropanal.
What is the SMILES notation for 2-(5,5-difluorooxan-2-yl)-2-methylpropanal?
The canonical SMILES for 2-(5,5-difluorooxan-2-yl)-2-methylpropanal is CC(C)(C=O)C1CCC(F)(F)CO1.
What is the InChIKey of 2-(5,5-difluorooxan-2-yl)-2-methylpropanal?
The InChIKey is DBMYDXIKKWWBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-8(2,5-12)7-3-4-9(10,11)6-13-7/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(5,5-difluorooxan-2-yl)-2-methylpropanal?
2-(5,5-difluorooxan-2-yl)-2-methylpropanal has a molecular weight of 192.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-difluorooxan-2-yl)-2-methylpropanal is sourced from PubChem (CID 134421225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).