1,1,1-trifluoro-3,3,3-trimethoxypropane

C6H11F3O3 — CID 58361442

IUPAC1,1,1-trifluoro-3,3,3-trimethoxypropane
SMILESCOC(CC(F)(F)F)(OC)OC
InChIInChI=1S/C6H11F3O3/c1-10-6(11-2,12-3)4-5(7,8)9/h4H2,1-3H3
InChIKeyMPESFKYURJXKDX-UHFFFAOYSA-N
MW188.14 g/mol
LogP1.53
Rot. Bonds4

About 1,1,1-trifluoro-3,3,3-trimethoxypropane

1,1,1-trifluoro-3,3,3-trimethoxypropane (PubChem CID 58361442) has the molecular formula C6H11F3O3 and a molecular weight of 188.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3,3-trimethoxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3,3-trimethoxypropane
PubChem CID58361442
Molecular FormulaC6H11F3O3
Molecular Weight188.14 g/mol
Exact Mass188.07
IUPAC Name1,1,1-trifluoro-3,3,3-trimethoxypropane
SMILESCOC(CC(F)(F)F)(OC)OC
InChIInChI=1S/C6H11F3O3/c1-10-6(11-2,12-3)4-5(7,8)9/h4H2,1-3H3
InChIKeyMPESFKYURJXKDX-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,1-trifluoro-3,3,3-trimethoxypropane?
The IUPAC name of 1,1,1-trifluoro-3,3,3-trimethoxypropane (CID 58361442) is 1,1,1-trifluoro-3,3,3-trimethoxypropane.
What is the SMILES notation for 1,1,1-trifluoro-3,3,3-trimethoxypropane?
The canonical SMILES for 1,1,1-trifluoro-3,3,3-trimethoxypropane is COC(CC(F)(F)F)(OC)OC.
What is the InChIKey of 1,1,1-trifluoro-3,3,3-trimethoxypropane?
The InChIKey is MPESFKYURJXKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3/c1-10-6(11-2,12-3)4-5(7,8)9/h4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3,3-trimethoxypropane?
1,1,1-trifluoro-3,3,3-trimethoxypropane has a molecular weight of 188.14 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3,3-trimethoxypropane is sourced from PubChem (CID 58361442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).