2-diethylphosphoryl-2-fluorobutanoic acid

C8H16FO3P — CID 87462375

IUPAC2-diethylphosphoryl-2-fluorobutanoic acid
SMILESCCC(F)(C(=O)O)P(=O)(CC)CC
InChIInChI=1S/C8H16FO3P/c1-4-8(9,7(10)11)13(12,5-2)6-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyNRXCTJQLJKVLHP-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.55
Rot. Bonds5

About 2-diethylphosphoryl-2-fluorobutanoic acid

2-diethylphosphoryl-2-fluorobutanoic acid (PubChem CID 87462375) has the molecular formula C8H16FO3P and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-diethylphosphoryl-2-fluorobutanoic acid.

Molecular Properties

Compound Name2-diethylphosphoryl-2-fluorobutanoic acid
PubChem CID87462375
Molecular FormulaC8H16FO3P
Molecular Weight210.18 g/mol
Exact Mass210.08
IUPAC Name2-diethylphosphoryl-2-fluorobutanoic acid
SMILESCCC(F)(C(=O)O)P(=O)(CC)CC
InChIInChI=1S/C8H16FO3P/c1-4-8(9,7(10)11)13(12,5-2)6-3/h4-6H2,1-3H3,(H,10,11)
InChIKeyNRXCTJQLJKVLHP-UHFFFAOYSA-N
XLogP2.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylphosphoryl)butanoic acid
CID 87462878
2-Dimethylphosphoryl-2-fluoropropanoic acid
CID 87461951
2-Dimethylphosphoryl-2-fluorobutanoic acid
CID 87462516
2-Diethylphosphoryl-2-fluoropropanoic acid
CID 87462612
2-[Bis(2,2,2-trifluoroethyl)phosphoryl]butanoic acid
CID 87462822
2-Fluoro-3-phosphorosobutanoic acid
CID 174930624
4-Dimethylphosphorylbutanoic acid
CID 140998654
3-(Dimethylphosphoryl)-4,4,4-trifluorobutanoicacid
CID 155821702
1-Carboxypropyl-methyl-oxophosphanium
CID 19914406
Sec.Butyl Bis(beta-Carboxyethyl)Phosphine Oxide
CID 22902895
3-Carboxypropyl-methyl-oxophosphanium
CID 23415496
4-Diethylphosphorylbutanoic acid
CID 23423428

Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphoryl-2-fluorobutanoic acid?
The IUPAC name of 2-diethylphosphoryl-2-fluorobutanoic acid (CID 87462375) is 2-diethylphosphoryl-2-fluorobutanoic acid.
What is the SMILES notation for 2-diethylphosphoryl-2-fluorobutanoic acid?
The canonical SMILES for 2-diethylphosphoryl-2-fluorobutanoic acid is CCC(F)(C(=O)O)P(=O)(CC)CC.
What is the InChIKey of 2-diethylphosphoryl-2-fluorobutanoic acid?
The InChIKey is NRXCTJQLJKVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FO3P/c1-4-8(9,7(10)11)13(12,5-2)6-3/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-diethylphosphoryl-2-fluorobutanoic acid?
2-diethylphosphoryl-2-fluorobutanoic acid has a molecular weight of 210.18 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphoryl-2-fluorobutanoic acid is sourced from PubChem (CID 87462375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).