methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate

C9H7F9O5 — CID 14401464

IUPACmethyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(OC(F)(F)C1(C(F)(F)F)OCCO1)C(F)(F)F
InChIInChI=1S/C9H7F9O5/c1-20-4(19)5(10,7(11,12)13)23-9(17,18)6(8(14,15)16)21-2-3-22-6/h2-3H2,1H3
InChIKeyMLHMOLYQPHUQFD-UHFFFAOYSA-N
MW366.13 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate

methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate (PubChem CID 14401464) has the molecular formula C9H7F9O5 and a molecular weight of 366.13 g/mol. Its IUPAC name is methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namemethyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
PubChem CID14401464
Molecular FormulaC9H7F9O5
Molecular Weight366.13 g/mol
Exact Mass366.01
IUPAC Namemethyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(OC(F)(F)C1(C(F)(F)F)OCCO1)C(F)(F)F
InChIInChI=1S/C9H7F9O5/c1-20-4(19)5(10,7(11,12)13)23-9(17,18)6(8(14,15)16)21-2-3-22-6/h2-3H2,1H3
InChIKeyMLHMOLYQPHUQFD-UHFFFAOYSA-N
XLogP2.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate (CID 14401464) is methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate is COC(=O)C(F)(OC(F)(F)C1(C(F)(F)F)OCCO1)C(F)(F)F.
What is the InChIKey of methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate?
The InChIKey is MLHMOLYQPHUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F9O5/c1-20-4(19)5(10,7(11,12)13)23-9(17,18)6(8(14,15)16)21-2-3-22-6/h2-3H2,1H3.
What are the key properties of methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate?
methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate has a molecular weight of 366.13 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 14401464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).