3-difluorophosphoryloxyhexa-1,5-diene

C6H9F2O2P — CID 166519656

IUPAC3-difluorophosphoryloxyhexa-1,5-diene
SMILESC=CCC(C=C)OP(=O)(F)F
InChIInChI=1S/C6H9F2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2
InChIKeyOAVQVJRLELZQPN-UHFFFAOYSA-N
MW182.11 g/mol
LogP3.18
Rot. Bonds5

About 3-difluorophosphoryloxyhexa-1,5-diene

3-difluorophosphoryloxyhexa-1,5-diene (PubChem CID 166519656) has the molecular formula C6H9F2O2P and a molecular weight of 182.11 g/mol. Its IUPAC name is 3-difluorophosphoryloxyhexa-1,5-diene.

Molecular Properties

Compound Name3-difluorophosphoryloxyhexa-1,5-diene
PubChem CID166519656
Molecular FormulaC6H9F2O2P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name3-difluorophosphoryloxyhexa-1,5-diene
SMILESC=CCC(C=C)OP(=O)(F)F
InChIInChI=1S/C6H9F2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2
InChIKeyOAVQVJRLELZQPN-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluoro(1,1,1-trifluoropent-4-en-2-yloxy)phosphinic acid
CID 87221887
4-Difluorophosphoryloxybut-1-ene
CID 130422638
Difluoro(hexa-1,5-dien-3-yloxy)phosphane
CID 147817258
3-Difluorophosphoryloxyhex-1-en-5-yne
CID 166519663
3-Difluorophosphoryloxypenta-1,4-diene
CID 166519666
4-Difluorophosphoryloxyhepta-1,6-diene
CID 166519674
1,1-Difluorohexa-1,5-dien-3-yl dihydrogen phosphate
CID 175386377
Hexa-1,5-dien-3-yl dihydrogen phosphate
CID 87318622
Ethoxy-oxo-pent-4-en-2-yloxyphosphanium
CID 88686747
chloro-[(3S)-hexa-1,5-dien-3-yl]oxyphosphinic acid
CID 88734634
3-Dichlorophosphoryloxyhexa-1,5-diene
CID 166519676
Difluorophosphinic acid;hexa-1,5-dien-3-ol
CID 175386378

Frequently Asked Questions

What is the IUPAC name of 3-difluorophosphoryloxyhexa-1,5-diene?
The IUPAC name of 3-difluorophosphoryloxyhexa-1,5-diene (CID 166519656) is 3-difluorophosphoryloxyhexa-1,5-diene.
What is the SMILES notation for 3-difluorophosphoryloxyhexa-1,5-diene?
The canonical SMILES for 3-difluorophosphoryloxyhexa-1,5-diene is C=CCC(C=C)OP(=O)(F)F.
What is the InChIKey of 3-difluorophosphoryloxyhexa-1,5-diene?
The InChIKey is OAVQVJRLELZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2.
What are the key properties of 3-difluorophosphoryloxyhexa-1,5-diene?
3-difluorophosphoryloxyhexa-1,5-diene has a molecular weight of 182.11 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-difluorophosphoryloxyhexa-1,5-diene is sourced from PubChem (CID 166519656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).