1-difluorophosphoryloxypentane

C5H11F2O2P — CID 87764988

IUPAC1-difluorophosphoryloxypentane
SMILESCCCCCOP(=O)(F)F
InChIInChI=1S/C5H11F2O2P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyBIDGFMKUUWVJBH-UHFFFAOYSA-N
MW172.11 g/mol
LogP3.24
Rot. Bonds5

About 1-difluorophosphoryloxypentane

1-difluorophosphoryloxypentane (PubChem CID 87764988) has the molecular formula C5H11F2O2P and a molecular weight of 172.11 g/mol. Its IUPAC name is 1-difluorophosphoryloxypentane.

Molecular Properties

Compound Name1-difluorophosphoryloxypentane
PubChem CID87764988
Molecular FormulaC5H11F2O2P
Molecular Weight172.11 g/mol
Exact Mass172.05
IUPAC Name1-difluorophosphoryloxypentane
SMILESCCCCCOP(=O)(F)F
InChIInChI=1S/C5H11F2O2P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyBIDGFMKUUWVJBH-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Pentyl methylphosphonofluoridate
CID 518769
Butyl methylphosphonofluoridate
CID 520724
Pentyl ethylphosphonofluoridate
CID 519228
Phosphorofluoridic acid, dipropyl ester
CID 6451603
1-Difluorophosphoryloxybutane
CID 14529071
O-propylethylfluorophosphonate
CID 87128084
O-pentyl methylfluorophosphonate
CID 18692695
n-Propylmethylfluorophosphonate
CID 85794115
Dipentoxyfluorophosphine oxide
CID 85885641
O-butyl ethylfluorophosphonate
CID 87128197
O-butyl propylfluorophosphonate
CID 87128198
O-butyl methylfluorophosphonate
CID 87391188

Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxypentane?
The IUPAC name of 1-difluorophosphoryloxypentane (CID 87764988) is 1-difluorophosphoryloxypentane.
What is the SMILES notation for 1-difluorophosphoryloxypentane?
The canonical SMILES for 1-difluorophosphoryloxypentane is CCCCCOP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxypentane?
The InChIKey is BIDGFMKUUWVJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2O2P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3.
What are the key properties of 1-difluorophosphoryloxypentane?
1-difluorophosphoryloxypentane has a molecular weight of 172.11 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxypentane is sourced from PubChem (CID 87764988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).