4-(1,1-difluorobuta-2,3-dienyl)oxane

C9H12F2O — CID 156791824

IUPAC4-(1,1-difluorobuta-2,3-dienyl)oxane
SMILESC=C=CC(F)(F)C1CCOCC1
InChIInChI=1S/C9H12F2O/c1-2-5-9(10,11)8-3-6-12-7-4-8/h5,8H,1,3-4,6-7H2
InChIKeyMHYZRQPOMJDMLK-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.39
Rot. Bonds2

About 4-(1,1-difluorobuta-2,3-dienyl)oxane

4-(1,1-difluorobuta-2,3-dienyl)oxane (PubChem CID 156791824) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 4-(1,1-difluorobuta-2,3-dienyl)oxane.

Molecular Properties

Compound Name4-(1,1-difluorobuta-2,3-dienyl)oxane
PubChem CID156791824
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name4-(1,1-difluorobuta-2,3-dienyl)oxane
SMILESC=C=CC(F)(F)C1CCOCC1
InChIInChI=1S/C9H12F2O/c1-2-5-9(10,11)8-3-6-12-7-4-8/h5,8H,1,3-4,6-7H2
InChIKeyMHYZRQPOMJDMLK-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluorobuta-2,3-dienyl)oxane?
The IUPAC name of 4-(1,1-difluorobuta-2,3-dienyl)oxane (CID 156791824) is 4-(1,1-difluorobuta-2,3-dienyl)oxane.
What is the SMILES notation for 4-(1,1-difluorobuta-2,3-dienyl)oxane?
The canonical SMILES for 4-(1,1-difluorobuta-2,3-dienyl)oxane is C=C=CC(F)(F)C1CCOCC1.
What is the InChIKey of 4-(1,1-difluorobuta-2,3-dienyl)oxane?
The InChIKey is MHYZRQPOMJDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-2-5-9(10,11)8-3-6-12-7-4-8/h5,8H,1,3-4,6-7H2.
What are the key properties of 4-(1,1-difluorobuta-2,3-dienyl)oxane?
4-(1,1-difluorobuta-2,3-dienyl)oxane has a molecular weight of 174.19 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluorobuta-2,3-dienyl)oxane is sourced from PubChem (CID 156791824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).