1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane

C8H18FO2P — CID 574768

IUPAC1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
SMILESCCC(C)CCOP(=O)(F)CC
InChIInChI=1S/C8H18FO2P/c1-4-8(3)6-7-11-12(9,10)5-2/h8H,4-7H2,1-3H3
InChIKeyLHSYDXMWHSNJAY-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.62
Rot. Bonds6

About 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane

1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane (PubChem CID 574768) has the molecular formula C8H18FO2P and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
PubChem CID574768
Molecular FormulaC8H18FO2P
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
SMILESCCC(C)CCOP(=O)(F)CC
InChIInChI=1S/C8H18FO2P/c1-4-8(3)6-7-11-12(9,10)5-2/h8H,4-7H2,1-3H3
InChIKeyLHSYDXMWHSNJAY-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
CID 574791
1-dimethylphosphoryloxy-3-methylpentane
CID 154090861
trimethyl-[methyl(3-methylpentoxy)phosphoryl]oxysilane
CID 91721359
tris(5-methylheptyl) phosphate
CID 87189340
3-methyl-1-(3-methylpentoxymethoxymethoxy)pentane
CID 172857942
fluoro(2-methylbutoxy)phosphinic acid
CID 175014700
3-methyl-1-propoxypentane
CID 123388243
bis(3-methylpentoxy)-oxophosphanium
CID 174765578
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
(3R)-1-(2-fluoroethoxy)-3-methylpentane
CID 130394752
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylpentane
CID 126547555
2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
CID 574770

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane (CID 574768) is 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane is CCC(C)CCOP(=O)(F)CC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane?
The InChIKey is LHSYDXMWHSNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO2P/c1-4-8(3)6-7-11-12(9,10)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane?
1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane has a molecular weight of 196.20 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane is sourced from PubChem (CID 574768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).