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

C6H14FO2P — CID 581249

IUPAC1-[fluoro(propan-2-yl)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)C(C)C
InChIInChI=1S/C6H14FO2P/c1-4-5-9-10(7,8)6(2)3/h6H,4-5H2,1-3H3
InChIKeySVFKXMGYWCLZOY-UHFFFAOYSA-N
MW168.15 g/mol
LogP2.98
Rot. Bonds4

About 1-[fluoro(propan-2-yl)phosphoryl]oxypropane

1-[fluoro(propan-2-yl)phosphoryl]oxypropane (PubChem CID 581249) has the molecular formula C6H14FO2P and a molecular weight of 168.15 g/mol. Its IUPAC name is 1-[fluoro(propan-2-yl)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[fluoro(propan-2-yl)phosphoryl]oxypropane
PubChem CID581249
Molecular FormulaC6H14FO2P
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name1-[fluoro(propan-2-yl)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)C(C)C
InChIInChI=1S/C6H14FO2P/c1-4-5-9-10(7,8)6(2)3/h6H,4-5H2,1-3H3
InChIKeySVFKXMGYWCLZOY-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane
CID 170850771
1-[fluoro(iodo)phosphoryl]oxypropane
CID 175579008
1-[[methoxy(propan-2-yl)phosphoryl]oxy-propan-2-ylphosphoryl]oxypropane
CID 586976
1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
1-dipropoxyphosphoryl-N-methylethanamine
CID 71444705
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
dibutyl phosphate;tetramethylphosphanium
CID 87474476
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
1-[fluoro(propoxy)phosphoryl]oxyhexane
CID 172772992

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The IUPAC name of 1-[fluoro(propan-2-yl)phosphoryl]oxypropane (CID 581249) is 1-[fluoro(propan-2-yl)phosphoryl]oxypropane.
What is the SMILES notation for 1-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The canonical SMILES for 1-[fluoro(propan-2-yl)phosphoryl]oxypropane is CCCOP(=O)(F)C(C)C.
What is the InChIKey of 1-[fluoro(propan-2-yl)phosphoryl]oxypropane?
The InChIKey is SVFKXMGYWCLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO2P/c1-4-5-9-10(7,8)6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-[fluoro(propan-2-yl)phosphoryl]oxypropane?
1-[fluoro(propan-2-yl)phosphoryl]oxypropane has a molecular weight of 168.15 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(propan-2-yl)phosphoryl]oxypropane is sourced from PubChem (CID 581249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).