1-propoxy-3-(2,2,2-trifluoroethoxy)propane

C8H15F3O2 — CID 58264597

IUPAC1-propoxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCCCOCCCOCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2-7H2,1H3
InChIKeyBWCSIFGEVRSYTD-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.38
Rot. Bonds7

About 1-propoxy-3-(2,2,2-trifluoroethoxy)propane

1-propoxy-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 58264597) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-propoxy-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1-propoxy-3-(2,2,2-trifluoroethoxy)propane
PubChem CID58264597
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1-propoxy-3-(2,2,2-trifluoroethoxy)propane
SMILESCCCOCCCOCC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2-7H2,1H3
InChIKeyBWCSIFGEVRSYTD-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propoxy-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1-propoxy-3-(2,2,2-trifluoroethoxy)propane (CID 58264597) is 1-propoxy-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1-propoxy-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1-propoxy-3-(2,2,2-trifluoroethoxy)propane is CCCOCCCOCC(F)(F)F.
What is the InChIKey of 1-propoxy-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is BWCSIFGEVRSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-2-4-12-5-3-6-13-7-8(9,10)11/h2-7H2,1H3.
What are the key properties of 1-propoxy-3-(2,2,2-trifluoroethoxy)propane?
1-propoxy-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 200.20 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 58264597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).