1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate

C5H7F2O4P — CID 175351929

IUPAC1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate
SMILESC=CC(C=C(F)F)OP(=O)(O)O
InChIInChI=1S/C5H7F2O4P/c1-2-4(3-5(6)7)11-12(8,9)10/h2-4H,1H2,(H2,8,9,10)
InChIKeyWTRLNGRWBJIZIN-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.43
Rot. Bonds4

About 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate

1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate (PubChem CID 175351929) has the molecular formula C5H7F2O4P and a molecular weight of 200.08 g/mol. Its IUPAC name is 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate.

Molecular Properties

Compound Name1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate
PubChem CID175351929
Molecular FormulaC5H7F2O4P
Molecular Weight200.08 g/mol
Exact Mass200.01
IUPAC Name1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate
SMILESC=CC(C=C(F)F)OP(=O)(O)O
InChIInChI=1S/C5H7F2O4P/c1-2-4(3-5(6)7)11-12(8,9)10/h2-4H,1H2,(H2,8,9,10)
InChIKeyWTRLNGRWBJIZIN-UHFFFAOYSA-N
XLogP1.43
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.43
H-Bond Donors ≤ 52
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
Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87624465
1,1,1,2,3,3-Hexafluoropropan-2-yl prop-2-enyl hydrogen phosphate
CID 138504239
1,1,1-Trifluorobut-3-en-2-yloxy(2,2,2-trifluoroethyl)phosphinic acid
CID 154047198
3-Difluorophosphoryloxypenta-1,4-diene
CID 166519666
1,1,1-Trifluorobut-3-en-2-yl dihydrogen phosphate
CID 169742891
1,1,2-Trifluorobut-3-en-2-yl dihydrogen phosphate
CID 169742892
Hydroxy-oxo-(4,4,4-trifluorobut-1-enoxy)phosphanium
CID 174571598
Prop-2-enyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 175013597
5,5,5-Trifluoropent-3-en-2-yl dihydrogen phosphate
CID 175136123
1,1-Difluorohepta-1,6-dien-4-yl dihydrogen phosphate
CID 175351933

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate?
The IUPAC name of 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate (CID 175351929) is 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate.
What is the SMILES notation for 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate?
The canonical SMILES for 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate is C=CC(C=C(F)F)OP(=O)(O)O.
What is the InChIKey of 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate?
The InChIKey is WTRLNGRWBJIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2O4P/c1-2-4(3-5(6)7)11-12(8,9)10/h2-4H,1H2,(H2,8,9,10).
What are the key properties of 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate?
1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate has a molecular weight of 200.08 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropenta-1,4-dien-3-yl dihydrogen phosphate is sourced from PubChem (CID 175351929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).