2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

C6H14FO3P — CID 5936

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IUPAC2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKeyMUCZHBLJLSDCSD-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.91
Rot. Bonds4

About 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane

2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 5936) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID5936
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)OC(C)C
InChIInChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
InChIKeyMUCZHBLJLSDCSD-UHFFFAOYSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Ethylsarin
CID 65566
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl phosphate
CID 74162
Diisopropyl Phosphorochloridate
CID 164989
Diethyl fluorophosphate
CID 67752
Propyl Ethylphosphonofluoridate
CID 520458
1-Methylpropyl methylphosphonofluoridate
CID 520723

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane (CID 5936) is 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(=O)(F)OC(C)C.
What is the InChIKey of 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is MUCZHBLJLSDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane?
2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 184.15 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 5936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).