tripropoxymethyl 2,2-difluoroacetate

C12H22F2O5 — CID 87157216

IUPACtripropoxymethyl 2,2-difluoroacetate
SMILESCCCOC(OCCC)(OCCC)OC(=O)C(F)F
InChIInChI=1S/C12H22F2O5/c1-4-7-16-12(17-8-5-2,18-9-6-3)19-11(15)10(13)14/h10H,4-9H2,1-3H3
InChIKeyOBWSJZGJNPERAF-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.69
Rot. Bonds11

About tripropoxymethyl 2,2-difluoroacetate

tripropoxymethyl 2,2-difluoroacetate (PubChem CID 87157216) has the molecular formula C12H22F2O5 and a molecular weight of 284.30 g/mol. Its IUPAC name is tripropoxymethyl 2,2-difluoroacetate.

Molecular Properties

Compound Nametripropoxymethyl 2,2-difluoroacetate
PubChem CID87157216
Molecular FormulaC12H22F2O5
Molecular Weight284.30 g/mol
Exact Mass284.14
IUPAC Nametripropoxymethyl 2,2-difluoroacetate
SMILESCCCOC(OCCC)(OCCC)OC(=O)C(F)F
InChIInChI=1S/C12H22F2O5/c1-4-7-16-12(17-8-5-2,18-9-6-3)19-11(15)10(13)14/h10H,4-9H2,1-3H3
InChIKeyOBWSJZGJNPERAF-UHFFFAOYSA-N
XLogP2.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tripropoxymethyl 2,2-difluoroacetate?
The IUPAC name of tripropoxymethyl 2,2-difluoroacetate (CID 87157216) is tripropoxymethyl 2,2-difluoroacetate.
What is the SMILES notation for tripropoxymethyl 2,2-difluoroacetate?
The canonical SMILES for tripropoxymethyl 2,2-difluoroacetate is CCCOC(OCCC)(OCCC)OC(=O)C(F)F.
What is the InChIKey of tripropoxymethyl 2,2-difluoroacetate?
The InChIKey is OBWSJZGJNPERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O5/c1-4-7-16-12(17-8-5-2,18-9-6-3)19-11(15)10(13)14/h10H,4-9H2,1-3H3.
What are the key properties of tripropoxymethyl 2,2-difluoroacetate?
tripropoxymethyl 2,2-difluoroacetate has a molecular weight of 284.30 g/mol, XLogP of 2.69, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxymethyl 2,2-difluoroacetate is sourced from PubChem (CID 87157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).