(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate

C16H27FNO6P — CID 91052235

IUPAC(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate
SMILESCCOP(=O)(F)CCCCCCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C16H27FNO6P/c1-2-23-25(17,22)13-9-7-5-3-4-6-8-10-16(21)24-18-14(19)11-12-15(18)20/h11-12,19-20H,2-10,13H2,1H3
InChIKeyOYQZZBIZTTYXPD-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.17
Rot. Bonds13

About (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate

(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate (PubChem CID 91052235) has the molecular formula C16H27FNO6P and a molecular weight of 379.37 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate
PubChem CID91052235
Molecular FormulaC16H27FNO6P
Molecular Weight379.37 g/mol
Exact Mass379.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate
SMILESCCOP(=O)(F)CCCCCCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C16H27FNO6P/c1-2-23-25(17,22)13-9-7-5-3-4-6-8-10-16(21)24-18-14(19)11-12-15(18)20/h11-12,19-20H,2-10,13H2,1H3
InChIKeyOYQZZBIZTTYXPD-UHFFFAOYSA-N
XLogP4.17
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

16-(2,5-Dihydroxypyrrol-1-yl)oxy-16-oxohexadecanoic acid
CID 53736124
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
(2,5-Dihydroxypyrrol-1-yl) octadec-9-enoate
CID 54084610
(2,5-Dihydroxypyrrol-1-yl) hexadecanoate
CID 54247195
Bis(2,5-dihydroxypyrrol-1-yl) octanedioate
CID 54365501
(2,5-Dihydroxypyrrol-1-yl) 11-sulfanylundecanoate
CID 91565220
(2,5-Dihydroxypyrrol-1-yl) 4,4,5,5,6,6,7,7,7-nonafluoroheptanoate
CID 90845127
(2,5-Dihydroxypyrrol-1-yl) 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
CID 90920224
(2,5-Dihydroxypyrrol-1-yl) 11-(trifluoromethylsulfonyloxy)undecanoate
CID 91232631
(2,5-Dihydroxypyrrol-1-yl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 91306777
20-(2,5-Dihydroxypyrrol-1-yl)oxy-20-oxoicosanoic acid
CID 53652462
(2,5-Dihydroxypyrrol-1-yl) pentadecanoate
CID 53684211

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate (CID 91052235) is (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate is CCOP(=O)(F)CCCCCCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate?
The InChIKey is OYQZZBIZTTYXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FNO6P/c1-2-23-25(17,22)13-9-7-5-3-4-6-8-10-16(21)24-18-14(19)11-12-15(18)20/h11-12,19-20H,2-10,13H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate?
(2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate has a molecular weight of 379.37 g/mol, XLogP of 4.17, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 10-[ethoxy(fluoro)phosphoryl]decanoate is sourced from PubChem (CID 91052235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).