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

C6H9F3O — CID 57128345

IUPAC1,1,3-trifluoro-2-prop-2-enoxypropane
SMILESC=CCOC(CF)C(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2,5-6H,1,3-4H2
InChIKeySGONEJMHLAFZHM-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.79
Rot. Bonds5

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

1,1,3-trifluoro-2-prop-2-enoxypropane (PubChem CID 57128345) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-prop-2-enoxypropane.

Molecular Properties

Compound Name1,1,3-trifluoro-2-prop-2-enoxypropane
PubChem CID57128345
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1,1,3-trifluoro-2-prop-2-enoxypropane
SMILESC=CCOC(CF)C(F)F
InChIInChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2,5-6H,1,3-4H2
InChIKeySGONEJMHLAFZHM-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1,2,3,3,3-Hexafluoropropoxy)propene
CID 100972
Allyl heptafluoroisopropyl ether
CID 2735866
3-(2,2,2-Trifluoroethoxy)-1-propene
CID 15208
1,1,2,2-Tetrafluoroethyl allyl ether
CID 74026
3-(2,2,3,3-Tetrafluoropropoxy)prop-1-ene
CID 2783373
Tetrafluoroethylallylether
CID 14597123
Allyl heptafluoropropyl ether
CID 14766790
1,1,1,2,3,3-Hexafluoro-2-prop-2-enoxypropane
CID 174780343
Ethene;1,1,2,2-tetrafluoroethene;3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene
CID 44146746
4-(Allyloxy)-5,5,5-trifluoro-1-pentene
CID 86077577
Allyl 2,2,3,3,3-pentafluoropropyl ether
CID 3733234
3-(2-Fluoroethoxy)prop-1-ene
CID 11116001

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-2-prop-2-enoxypropane?
The IUPAC name of 1,1,3-trifluoro-2-prop-2-enoxypropane (CID 57128345) is 1,1,3-trifluoro-2-prop-2-enoxypropane.
What is the SMILES notation for 1,1,3-trifluoro-2-prop-2-enoxypropane?
The canonical SMILES for 1,1,3-trifluoro-2-prop-2-enoxypropane is C=CCOC(CF)C(F)F.
What is the InChIKey of 1,1,3-trifluoro-2-prop-2-enoxypropane?
The InChIKey is SGONEJMHLAFZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-2-3-10-5(4-7)6(8)9/h2,5-6H,1,3-4H2.
What are the key properties of 1,1,3-trifluoro-2-prop-2-enoxypropane?
1,1,3-trifluoro-2-prop-2-enoxypropane has a molecular weight of 154.13 g/mol, XLogP of 1.79, 5 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-2-enoxypropane is sourced from PubChem (CID 57128345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).