difluoro(hexa-1,5-dien-3-yloxy)phosphane

C6H9F2OP — CID 147817258

IUPACdifluoro(hexa-1,5-dien-3-yloxy)phosphane
SMILESC=CCC(C=C)OP(F)F
InChIInChI=1S/C6H9F2OP/c1-3-5-6(4-2)9-10(7)8/h3-4,6H,1-2,5H2
InChIKeyHONZIJVDTATXDQ-UHFFFAOYSA-N
MW166.11 g/mol
LogP3.30
Rot. Bonds5

About difluoro(hexa-1,5-dien-3-yloxy)phosphane

difluoro(hexa-1,5-dien-3-yloxy)phosphane (PubChem CID 147817258) has the molecular formula C6H9F2OP and a molecular weight of 166.11 g/mol. Its IUPAC name is difluoro(hexa-1,5-dien-3-yloxy)phosphane.

Molecular Properties

Compound Namedifluoro(hexa-1,5-dien-3-yloxy)phosphane
PubChem CID147817258
Molecular FormulaC6H9F2OP
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namedifluoro(hexa-1,5-dien-3-yloxy)phosphane
SMILESC=CCC(C=C)OP(F)F
InChIInChI=1S/C6H9F2OP/c1-3-5-6(4-2)9-10(7)8/h3-4,6H,1-2,5H2
InChIKeyHONZIJVDTATXDQ-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Difluorophosphanyloxyhexa-1,5-dien-3-yloxy(difluoro)phosphane
CID 146653593
3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656

Frequently Asked Questions

What is the IUPAC name of difluoro(hexa-1,5-dien-3-yloxy)phosphane?
The IUPAC name of difluoro(hexa-1,5-dien-3-yloxy)phosphane (CID 147817258) is difluoro(hexa-1,5-dien-3-yloxy)phosphane.
What is the SMILES notation for difluoro(hexa-1,5-dien-3-yloxy)phosphane?
The canonical SMILES for difluoro(hexa-1,5-dien-3-yloxy)phosphane is C=CCC(C=C)OP(F)F.
What is the InChIKey of difluoro(hexa-1,5-dien-3-yloxy)phosphane?
The InChIKey is HONZIJVDTATXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2OP/c1-3-5-6(4-2)9-10(7)8/h3-4,6H,1-2,5H2.
What are the key properties of difluoro(hexa-1,5-dien-3-yloxy)phosphane?
difluoro(hexa-1,5-dien-3-yloxy)phosphane has a molecular weight of 166.11 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(hexa-1,5-dien-3-yloxy)phosphane is sourced from PubChem (CID 147817258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).