1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene

C7H7F7O — CID 23233543

IUPAC1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene
SMILESCCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-3-15-5(8)4(6(9,10)11)7(12,13)14/h2-3H2,1H3
InChIKeyCTAMIGQHDWYKQQ-UHFFFAOYSA-N
MW240.12 g/mol
LogP3.72
Rot. Bonds3

About 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene

1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene (PubChem CID 23233543) has the molecular formula C7H7F7O and a molecular weight of 240.12 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene
PubChem CID23233543
Molecular FormulaC7H7F7O
Molecular Weight240.12 g/mol
Exact Mass240.04
IUPAC Name1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene
SMILESCCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F7O/c1-2-3-15-5(8)4(6(9,10)11)7(12,13)14/h2-3H2,1H3
InChIKeyCTAMIGQHDWYKQQ-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene (CID 23233543) is 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene is CCCOC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene?
The InChIKey is CTAMIGQHDWYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F7O/c1-2-3-15-5(8)4(6(9,10)11)7(12,13)14/h2-3H2,1H3.
What are the key properties of 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene?
1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene has a molecular weight of 240.12 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 23233543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).