ethyl fluoro octyl phosphate

C10H22FO4P — CID 141337473

IUPACethyl fluoro octyl phosphate
SMILESCCCCCCCCOP(=O)(OF)OCC
InChIInChI=1S/C10H22FO4P/c1-3-5-6-7-8-9-10-14-16(12,15-11)13-4-2/h3-10H2,1-2H3
InChIKeyYHDSOKBLAVXYMK-UHFFFAOYSA-N
MW256.25 g/mol
LogP4.41
Rot. Bonds11

About ethyl fluoro octyl phosphate

ethyl fluoro octyl phosphate (PubChem CID 141337473) has the molecular formula C10H22FO4P and a molecular weight of 256.25 g/mol. Its IUPAC name is ethyl fluoro octyl phosphate.

Molecular Properties

Compound Nameethyl fluoro octyl phosphate
PubChem CID141337473
Molecular FormulaC10H22FO4P
Molecular Weight256.25 g/mol
Exact Mass256.12
IUPAC Nameethyl fluoro octyl phosphate
SMILESCCCCCCCCOP(=O)(OF)OCC
InChIInChI=1S/C10H22FO4P/c1-3-5-6-7-8-9-10-14-16(12,15-11)13-4-2/h3-10H2,1-2H3
InChIKeyYHDSOKBLAVXYMK-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

azane;didodecyl ethyl phosphate
CID 170436215
dodecyl dioctyl phosphate
CID 57134013
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
diheptyl hexyl phosphate
CID 175578950
ethyl iodomethyl octyl phosphate
CID 88723495
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
butyl dihexyl phosphate
CID 22497695
dibutyl decyl phosphate
CID 19784867
tris(3-pentadecoxypropyl) phosphate
CID 126525532

Frequently Asked Questions

What is the IUPAC name of ethyl fluoro octyl phosphate?
The IUPAC name of ethyl fluoro octyl phosphate (CID 141337473) is ethyl fluoro octyl phosphate.
What is the SMILES notation for ethyl fluoro octyl phosphate?
The canonical SMILES for ethyl fluoro octyl phosphate is CCCCCCCCOP(=O)(OF)OCC.
What is the InChIKey of ethyl fluoro octyl phosphate?
The InChIKey is YHDSOKBLAVXYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FO4P/c1-3-5-6-7-8-9-10-14-16(12,15-11)13-4-2/h3-10H2,1-2H3.
What are the key properties of ethyl fluoro octyl phosphate?
ethyl fluoro octyl phosphate has a molecular weight of 256.25 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl fluoro octyl phosphate is sourced from PubChem (CID 141337473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).