1-[fluoro(propoxy)phosphoryl]oxyhexane

C9H20FO3P — CID 172772992

IUPAC1-[fluoro(propoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)OCCC
InChIInChI=1S/C9H20FO3P/c1-3-5-6-7-9-13-14(10,11)12-8-4-2/h3-9H2,1-2H3
InChIKeyNFDUOPDRHANWCN-UHFFFAOYSA-N
MW226.23 g/mol
LogP4.09
Rot. Bonds9

About 1-[fluoro(propoxy)phosphoryl]oxyhexane

1-[fluoro(propoxy)phosphoryl]oxyhexane (PubChem CID 172772992) has the molecular formula C9H20FO3P and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[fluoro(propoxy)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[fluoro(propoxy)phosphoryl]oxyhexane
PubChem CID172772992
Molecular FormulaC9H20FO3P
Molecular Weight226.23 g/mol
Exact Mass226.11
IUPAC Name1-[fluoro(propoxy)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)OCCC
InChIInChI=1S/C9H20FO3P/c1-3-5-6-7-9-13-14(10,11)12-8-4-2/h3-9H2,1-2H3
InChIKeyNFDUOPDRHANWCN-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[fluoro(propoxy)phosphoryl]oxyhexane 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

diheptyl propyl phosphate
CID 22497721
diheptyl hexyl phosphate
CID 175578950
dodecyl dioctyl phosphate
CID 57134013
decyl propyl hydrogen phosphate
CID 87587050
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
pentatriacontyl dihydrogen phosphate
CID 164897229
1-dichlorophosphoryloxyoctadecane
CID 88757359

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(propoxy)phosphoryl]oxyhexane?
The IUPAC name of 1-[fluoro(propoxy)phosphoryl]oxyhexane (CID 172772992) is 1-[fluoro(propoxy)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[fluoro(propoxy)phosphoryl]oxyhexane?
The canonical SMILES for 1-[fluoro(propoxy)phosphoryl]oxyhexane is CCCCCCOP(=O)(F)OCCC.
What is the InChIKey of 1-[fluoro(propoxy)phosphoryl]oxyhexane?
The InChIKey is NFDUOPDRHANWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FO3P/c1-3-5-6-7-9-13-14(10,11)12-8-4-2/h3-9H2,1-2H3.
What are the key properties of 1-[fluoro(propoxy)phosphoryl]oxyhexane?
1-[fluoro(propoxy)phosphoryl]oxyhexane has a molecular weight of 226.23 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(propoxy)phosphoryl]oxyhexane is sourced from PubChem (CID 172772992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).