(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium

C10H19FO4P+ — CID 88786117

IUPAC(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium
SMILESCC(C)CCCC(C)(F)C(=O)CO[P+](=O)O
InChIInChI=1S/C10H18FO4P/c1-8(2)5-4-6-10(3,11)9(12)7-15-16(13)14/h8H,4-7H2,1-3H3/p+1
InChIKeyJWULEPAPYCUUBR-UHFFFAOYSA-O
MW253.23 g/mol
LogP2.78
Rot. Bonds8

About (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium

(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium (PubChem CID 88786117) has the molecular formula C10H19FO4P+ and a molecular weight of 253.23 g/mol. Its IUPAC name is (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium
PubChem CID88786117
Molecular FormulaC10H19FO4P+
Molecular Weight253.23 g/mol
Exact Mass253.10
IUPAC Name(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium
SMILESCC(C)CCCC(C)(F)C(=O)CO[P+](=O)O
InChIInChI=1S/C10H18FO4P/c1-8(2)5-4-6-10(3,11)9(12)7-15-16(13)14/h8H,4-7H2,1-3H3/p+1
InChIKeyJWULEPAPYCUUBR-UHFFFAOYSA-O
XLogP2.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-4,7-dimethyloctan-3-one
CID 176990055
6,6-difluoro-2,10-dimethylundecane
CID 169289858
3,3,7-trimethyloctan-2-one
CID 88712465
hydroxy-(7-methoxy-7-methyl-2-oxooctoxy)-oxophosphanium
CID 88652697
3,3-dimethyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one
CID 169040434
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
hydroxy-(2-methylpropoxy)-oxophosphanium;2-methylpropane
CID 87604584
dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191
2,2,5-trimethylhexanoyl 2,2,5-trimethylhexaneperoxoate
CID 21248465
tert-butyl 8-methyl-2-(4-methylpentyl)nonanoate
CID 172624569
6-methyl-1-[(2-methylpropan-2-yl)oxy]heptan-2-one
CID 105125614
6-fluoro-2,6-dimethylundecane
CID 155274662

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium?
The IUPAC name of (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium (CID 88786117) is (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium is CC(C)CCCC(C)(F)C(=O)CO[P+](=O)O.
What is the InChIKey of (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium?
The InChIKey is JWULEPAPYCUUBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18FO4P/c1-8(2)5-4-6-10(3,11)9(12)7-15-16(13)14/h8H,4-7H2,1-3H3/p+1.
What are the key properties of (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium?
(3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium has a molecular weight of 253.23 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3,7-dimethyl-2-oxooctoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 88786117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).