2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal

C14H22F2O5 — CID 154151752

IUPAC2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal
SMILESO=CC(F)(F)C(COC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C14H22F2O5/c15-14(16,10-17)11(21-13-6-2-4-8-19-13)9-20-12-5-1-3-7-18-12/h10-13H,1-9H2
InChIKeyDXIADAFGCAIZTD-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.28
Rot. Bonds7

About 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal

2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal (PubChem CID 154151752) has the molecular formula C14H22F2O5 and a molecular weight of 308.32 g/mol. Its IUPAC name is 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal.

Molecular Properties

Compound Name2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal
PubChem CID154151752
Molecular FormulaC14H22F2O5
Molecular Weight308.32 g/mol
Exact Mass308.14
IUPAC Name2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal
SMILESO=CC(F)(F)C(COC1CCCCO1)OC1CCCCO1
InChIInChI=1S/C14H22F2O5/c15-14(16,10-17)11(21-13-6-2-4-8-19-13)9-20-12-5-1-3-7-18-12/h10-13H,1-9H2
InChIKeyDXIADAFGCAIZTD-UHFFFAOYSA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-[1,3,4-tris(oxolan-2-yloxy)butan-2-yloxy]oxolane
CID 169311786
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
2-(2,3,3-trimethylbutoxy)oxane
CID 145356481
3-(oxan-2-yloxymethoxy)propanal
CID 134987354
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-(2-propylpentoxy)oxane
CID 175998246
2-[(E,2R)-4-iodo-2-methylpent-3-enoxy]oxane
CID 10870601
7,7,7-trifluoro-2-methyl-6-(oxan-2-yloxymethyl)hept-2-en-4-ol
CID 85265507
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(2R)-2-methylpentoxy]oxane
CID 57327472

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal?
The IUPAC name of 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal (CID 154151752) is 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal.
What is the SMILES notation for 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal?
The canonical SMILES for 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal is O=CC(F)(F)C(COC1CCCCO1)OC1CCCCO1.
What is the InChIKey of 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal?
The InChIKey is DXIADAFGCAIZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O5/c15-14(16,10-17)11(21-13-6-2-4-8-19-13)9-20-12-5-1-3-7-18-12/h10-13H,1-9H2.
What are the key properties of 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal?
2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal has a molecular weight of 308.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-bis(oxan-2-yloxy)butanal is sourced from PubChem (CID 154151752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).