1-[fluoro(iodo)phosphoryl]oxypropane

C3H7FIO2P — CID 175579008

IUPAC1-[fluoro(iodo)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)I
InChIInChI=1S/C3H7FIO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeySUDYERVWJUOALS-UHFFFAOYSA-N
MW251.96 g/mol
LogP2.93
Rot. Bonds3

About 1-[fluoro(iodo)phosphoryl]oxypropane

1-[fluoro(iodo)phosphoryl]oxypropane (PubChem CID 175579008) has the molecular formula C3H7FIO2P and a molecular weight of 251.96 g/mol. Its IUPAC name is 1-[fluoro(iodo)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[fluoro(iodo)phosphoryl]oxypropane
PubChem CID175579008
Molecular FormulaC3H7FIO2P
Molecular Weight251.96 g/mol
Exact Mass251.92
IUPAC Name1-[fluoro(iodo)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)I
InChIInChI=1S/C3H7FIO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeySUDYERVWJUOALS-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.96
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
diiodo propyl phosphate
CID 175578929
1-[fluoro(propoxy)phosphoryl]oxyhexane
CID 172772992
O-[propoxy(silyl)phosphoryl]hydroxylamine
CID 175426852
1-[2-fluoroethenyl(propoxy)phosphoryl]oxypropane
CID 91477346
1-[dimethoxyphosphoryl(propoxy)phosphoryl]oxypropane
CID 18430553
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
methyl N-[fluoro(propoxy)phosphoryl]sulfamate
CID 155207362
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
pentan-3-yl propyl hydrogen phosphate
CID 151314588
[ethoxy(hydroxy)phosphoryl] dipropyl phosphate
CID 89297005

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(iodo)phosphoryl]oxypropane?
The IUPAC name of 1-[fluoro(iodo)phosphoryl]oxypropane (CID 175579008) is 1-[fluoro(iodo)phosphoryl]oxypropane.
What is the SMILES notation for 1-[fluoro(iodo)phosphoryl]oxypropane?
The canonical SMILES for 1-[fluoro(iodo)phosphoryl]oxypropane is CCCOP(=O)(F)I.
What is the InChIKey of 1-[fluoro(iodo)phosphoryl]oxypropane?
The InChIKey is SUDYERVWJUOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FIO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3.
What are the key properties of 1-[fluoro(iodo)phosphoryl]oxypropane?
1-[fluoro(iodo)phosphoryl]oxypropane has a molecular weight of 251.96 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(iodo)phosphoryl]oxypropane is sourced from PubChem (CID 175579008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).