2-fluoroethyl methyl hydrogen phosphate

C3H8FO4P — CID 121312932

IUPAC2-fluoroethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCCF
InChIInChI=1S/C3H8FO4P/c1-7-9(5,6)8-3-2-4/h2-3H2,1H3,(H,5,6)
InChIKeyQCPYOZUOMBKFDW-UHFFFAOYSA-N
MW158.06 g/mol
LogP0.72
Rot. Bonds4

About 2-fluoroethyl methyl hydrogen phosphate

2-fluoroethyl methyl hydrogen phosphate (PubChem CID 121312932) has the molecular formula C3H8FO4P and a molecular weight of 158.06 g/mol. Its IUPAC name is 2-fluoroethyl methyl hydrogen phosphate.

Molecular Properties

Compound Name2-fluoroethyl methyl hydrogen phosphate
PubChem CID121312932
Molecular FormulaC3H8FO4P
Molecular Weight158.06 g/mol
Exact Mass158.01
IUPAC Name2-fluoroethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCCF
InChIInChI=1S/C3H8FO4P/c1-7-9(5,6)8-3-2-4/h2-3H2,1H3,(H,5,6)
InChIKeyQCPYOZUOMBKFDW-UHFFFAOYSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.06
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl phosphate
CID 654
Phosphoric acid, monopropyl ester
CID 74188
Monoethyl phosphate
CID 74190
Ethyl dihydrogen diphosphate
CID 448674
Ethoxy(methoxy)phosphinic acid
CID 13319001
Ethyl fluoro methyl phosphate
CID 87128497
Ethyl hydrogen phosphate
CID 19068805
Phosphoric acid hydrogen ethyl 2,2,2-trifluoroethyl ester
CID 10330666
Methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 15685162
Ethoxy-(2-fluoroacetyl)phosphinic acid
CID 19807274
Diethyl fluoro phosphate
CID 20153517
Difluoro 1-fluoroethyl phosphate
CID 87222055

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl methyl hydrogen phosphate?
The IUPAC name of 2-fluoroethyl methyl hydrogen phosphate (CID 121312932) is 2-fluoroethyl methyl hydrogen phosphate.
What is the SMILES notation for 2-fluoroethyl methyl hydrogen phosphate?
The canonical SMILES for 2-fluoroethyl methyl hydrogen phosphate is COP(=O)(O)OCCF.
What is the InChIKey of 2-fluoroethyl methyl hydrogen phosphate?
The InChIKey is QCPYOZUOMBKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FO4P/c1-7-9(5,6)8-3-2-4/h2-3H2,1H3,(H,5,6).
What are the key properties of 2-fluoroethyl methyl hydrogen phosphate?
2-fluoroethyl methyl hydrogen phosphate has a molecular weight of 158.06 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl methyl hydrogen phosphate is sourced from PubChem (CID 121312932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).