1,1,3-trifluoro-2-prop-1-enoxypropane

C6H9F3O — CID 57122574

IUPAC1,1,3-trifluoro-2-prop-1-enoxypropane
SMILESCC=COC(CF)C(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2-3,5-6H,4H2,1H3
InChIKeyRPMFMCCHNDLRMT-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.14
Rot. Bonds4

About 1,1,3-trifluoro-2-prop-1-enoxypropane

1,1,3-trifluoro-2-prop-1-enoxypropane (PubChem CID 57122574) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-prop-1-enoxypropane.

Molecular Properties

Compound Name1,1,3-trifluoro-2-prop-1-enoxypropane
PubChem CID57122574
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1,1,3-trifluoro-2-prop-1-enoxypropane
SMILESCC=COC(CF)C(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2-3,5-6H,4H2,1H3
InChIKeyRPMFMCCHNDLRMT-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,1,3-trifluoro-2-prop-1-enoxypropane 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 1,1,3-trifluoro-2-prop-1-enoxypropane?
The IUPAC name of 1,1,3-trifluoro-2-prop-1-enoxypropane (CID 57122574) is 1,1,3-trifluoro-2-prop-1-enoxypropane.
What is the SMILES notation for 1,1,3-trifluoro-2-prop-1-enoxypropane?
The canonical SMILES for 1,1,3-trifluoro-2-prop-1-enoxypropane is CC=COC(CF)C(F)F.
What is the InChIKey of 1,1,3-trifluoro-2-prop-1-enoxypropane?
The InChIKey is RPMFMCCHNDLRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2-3,5-6H,4H2,1H3.
What are the key properties of 1,1,3-trifluoro-2-prop-1-enoxypropane?
1,1,3-trifluoro-2-prop-1-enoxypropane has a molecular weight of 154.13 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-2-prop-1-enoxypropane is sourced from PubChem (CID 57122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).