4-difluorophosphoryloxybutan-1-ol

C4H9F2O3P — CID 178182563

IUPAC4-difluorophosphoryloxybutan-1-ol
SMILESO=P(F)(F)OCCCCO
InChIInChI=1S/C4H9F2O3P/c5-10(6,8)9-4-2-1-3-7/h7H,1-4H2
InChIKeySCMYGTZBSPZUAD-UHFFFAOYSA-N
MW174.08 g/mol
LogP1.82
Rot. Bonds5

About 4-difluorophosphoryloxybutan-1-ol

4-difluorophosphoryloxybutan-1-ol (PubChem CID 178182563) has the molecular formula C4H9F2O3P and a molecular weight of 174.08 g/mol. Its IUPAC name is 4-difluorophosphoryloxybutan-1-ol.

Molecular Properties

Compound Name4-difluorophosphoryloxybutan-1-ol
PubChem CID178182563
Molecular FormulaC4H9F2O3P
Molecular Weight174.08 g/mol
Exact Mass174.03
IUPAC Name4-difluorophosphoryloxybutan-1-ol
SMILESO=P(F)(F)OCCCCO
InChIInChI=1S/C4H9F2O3P/c5-10(6,8)9-4-2-1-3-7/h7H,1-4H2
InChIKeySCMYGTZBSPZUAD-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.08
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(difluorophosphoryloxy)propane
CID 139386982
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
1,2-bis(difluorophosphoryloxy)ethane
CID 139386981
3-hydroxypropyl dihydrogen phosphate;phosphoric acid
CID 139534091
butyl 4-hydroxybutyl methyl phosphate
CID 71322599
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
[hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate;bis(octan-1-ol);oxotitanium
CID 87708864
chloro 3-hydroxypropyl hydrogen phosphate
CID 87143466
aminomethyl(3-hydroxypropoxy)phosphinic acid
CID 154247476
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404

Frequently Asked Questions

What is the IUPAC name of 4-difluorophosphoryloxybutan-1-ol?
The IUPAC name of 4-difluorophosphoryloxybutan-1-ol (CID 178182563) is 4-difluorophosphoryloxybutan-1-ol.
What is the SMILES notation for 4-difluorophosphoryloxybutan-1-ol?
The canonical SMILES for 4-difluorophosphoryloxybutan-1-ol is O=P(F)(F)OCCCCO.
What is the InChIKey of 4-difluorophosphoryloxybutan-1-ol?
The InChIKey is SCMYGTZBSPZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2O3P/c5-10(6,8)9-4-2-1-3-7/h7H,1-4H2.
What are the key properties of 4-difluorophosphoryloxybutan-1-ol?
4-difluorophosphoryloxybutan-1-ol has a molecular weight of 174.08 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-difluorophosphoryloxybutan-1-ol is sourced from PubChem (CID 178182563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).