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

C6H14FO2P — CID 581541

IUPAC2-[fluoro(propan-2-yl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)C(C)C
InChIInChI=1S/C6H14FO2P/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3
InChIKeyTYNDGPJILGOQAF-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.98
Rot. Bonds3

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

2-[fluoro(propan-2-yl)phosphoryl]oxypropane (PubChem CID 581541) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-[fluoro(propan-2-yl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[fluoro(propan-2-yl)phosphoryl]oxypropane
PubChem CID581541
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name2-[fluoro(propan-2-yl)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)C(C)C
InChIInChI=1S/C6H14FO2P/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3
InChIKeyTYNDGPJILGOQAF-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The IUPAC name of 2-[fluoro(propan-2-yl)phosphoryl]oxypropane (CID 581541) is 2-[fluoro(propan-2-yl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The canonical SMILES for 2-[fluoro(propan-2-yl)phosphoryl]oxypropane is CC(C)OP(=O)(F)C(C)C.
What is the InChIKey of 2-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The InChIKey is TYNDGPJILGOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO2P/c1-5(2)9-10(7,8)6(3)4/h5-6H,1-4H3.
What are the key properties of 2-[fluoro(propan-2-yl)phosphoryl]oxypropane?
2-[fluoro(propan-2-yl)phosphoryl]oxypropane has a molecular weight of 168.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(propan-2-yl)phosphoryl]oxypropane is sourced from PubChem (CID 581541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).