1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane

C12H26FO2P — CID 574791

IUPAC1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
SMILESCCP(=O)(F)OCCC(C)CCCC(C)C
InChIInChI=1S/C12H26FO2P/c1-5-16(13,14)15-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyIQMVAVDCBMUFQX-UHFFFAOYSA-N
MW252.31 g/mol
LogP5.04
Rot. Bonds9

About 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane

1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane (PubChem CID 574791) has the molecular formula C12H26FO2P and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
PubChem CID574791
Molecular FormulaC12H26FO2P
Molecular Weight252.31 g/mol
Exact Mass252.17
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane
SMILESCCP(=O)(F)OCCC(C)CCCC(C)C
InChIInChI=1S/C12H26FO2P/c1-5-16(13,14)15-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3
InChIKeyIQMVAVDCBMUFQX-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.31
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
CID 574768
tris(3,7,11-trimethyldodecyl) phosphate
CID 54444487
[dichloro-[hydroxy-[(7S)-3,7,11-trimethyldodecoxy]phosphoryl]methyl]phosphonic acid
CID 138393309
2-[hydroxy(3,7,11-trimethyldodecoxy)phosphoryl]oxyethyl-trimethylazanium
CID 14856205
3,7-dimethyloctyl methanesulfonate
CID 77230634
1-methoxy-4,8-dimethylnonane
CID 90974533
1-[3-[3-(3,7-dimethyloctoxy)propoxy]propoxy]-3,7-dimethyloctane
CID 58682905
1-[ethyl(3-methylbutoxy)phosphoryl]oxy-3-methylbutane
CID 170851032
1-methoxy-3,10-dimethylundecane
CID 154134706
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2,5,9,13-tetramethyltetradecane
CID 58292409
3,7,11,15-tetramethylhexadecyl hydrogen sulfate
CID 20659550

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane (CID 574791) is 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane is CCP(=O)(F)OCCC(C)CCCC(C)C.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane?
The InChIKey is IQMVAVDCBMUFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FO2P/c1-5-16(13,14)15-10-9-12(4)8-6-7-11(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane?
1-[ethyl(fluoro)phosphoryl]oxy-3,7-dimethyloctane has a molecular weight of 252.31 g/mol, XLogP of 5.04, 9 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-3,7-dimethyloctane is sourced from PubChem (CID 574791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).