fluoro methyl propan-2-yl phosphate

C4H10FO4P — CID 20975450

IUPACfluoro methyl propan-2-yl phosphate
SMILESCOP(=O)(OF)OC(C)C
InChIInChI=1S/C4H10FO4P/c1-4(2)8-10(6,7-3)9-5/h4H,1-3H3
InChIKeyGKMQZTQSSCARBI-UHFFFAOYSA-N
MW172.09 g/mol
LogP2.07
Rot. Bonds4

About fluoro methyl propan-2-yl phosphate

fluoro methyl propan-2-yl phosphate (PubChem CID 20975450) has the molecular formula C4H10FO4P and a molecular weight of 172.09 g/mol. Its IUPAC name is fluoro methyl propan-2-yl phosphate.

Molecular Properties

Compound Namefluoro methyl propan-2-yl phosphate
PubChem CID20975450
Molecular FormulaC4H10FO4P
Molecular Weight172.09 g/mol
Exact Mass172.03
IUPAC Namefluoro methyl propan-2-yl phosphate
SMILESCOP(=O)(OF)OC(C)C
InChIInChI=1S/C4H10FO4P/c1-4(2)8-10(6,7-3)9-5/h4H,1-3H3
InChIKeyGKMQZTQSSCARBI-UHFFFAOYSA-N
XLogP2.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Monoisopropyl phosphate
CID 15391
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
Ethylsarin
CID 65566
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989
Triisopropyl phosphate
CID 68188

Frequently Asked Questions

What is the IUPAC name of fluoro methyl propan-2-yl phosphate?
The IUPAC name of fluoro methyl propan-2-yl phosphate (CID 20975450) is fluoro methyl propan-2-yl phosphate.
What is the SMILES notation for fluoro methyl propan-2-yl phosphate?
The canonical SMILES for fluoro methyl propan-2-yl phosphate is COP(=O)(OF)OC(C)C.
What is the InChIKey of fluoro methyl propan-2-yl phosphate?
The InChIKey is GKMQZTQSSCARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO4P/c1-4(2)8-10(6,7-3)9-5/h4H,1-3H3.
What are the key properties of fluoro methyl propan-2-yl phosphate?
fluoro methyl propan-2-yl phosphate has a molecular weight of 172.09 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro methyl propan-2-yl phosphate is sourced from PubChem (CID 20975450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).