1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane

C6H7F5O — CID 54306181

IUPAC1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane
SMILESCC=COC(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2-5H,1H3
InChIKeySHRHDDCFYJDQAF-UHFFFAOYSA-N
MW190.11 g/mol
LogP2.73
Rot. Bonds3

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

1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane (PubChem CID 54306181) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane
PubChem CID54306181
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane
SMILESCC=COC(C(F)F)C(F)(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2-5H,1H3
InChIKeySHRHDDCFYJDQAF-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 52.73
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 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane (CID 54306181) is 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane is CC=COC(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane?
The InChIKey is SHRHDDCFYJDQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-2-3-12-4(5(7)8)6(9,10)11/h2-5H,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane?
1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane has a molecular weight of 190.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-prop-1-enoxypropane is sourced from PubChem (CID 54306181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).