5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane

C15H22F4O3 — CID 123926499

IUPAC5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane
SMILESCCCC1COC(C2CCC(C(F)=CC(F)(F)F)OC2)OC1
InChIInChI=1S/C15H22F4O3/c1-2-3-10-7-21-14(22-8-10)11-4-5-13(20-9-11)12(16)6-15(17,18)19/h6,10-11,13-14H,2-5,7-9H2,1H3
InChIKeyCIPBJHRXIBSUPB-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.99
Rot. Bonds4

About 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane

5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane (PubChem CID 123926499) has the molecular formula C15H22F4O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane.

Molecular Properties

Compound Name5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane
PubChem CID123926499
Molecular FormulaC15H22F4O3
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane
SMILESCCCC1COC(C2CCC(C(F)=CC(F)(F)F)OC2)OC1
InChIInChI=1S/C15H22F4O3/c1-2-3-10-7-21-14(22-8-10)11-4-5-13(20-9-11)12(16)6-15(17,18)19/h6,10-11,13-14H,2-5,7-9H2,1H3
InChIKeyCIPBJHRXIBSUPB-UHFFFAOYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Butyl-2-[4-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56618937
5-Butyl-2-[4-(1,1,2,2,3,3,4-heptafluorobutoxy)cyclohexa-1,5-dien-1-yl]-1,3-dioxane
CID 56623037
5-propyl-2-[6-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]oxan-3-yl]-1,3-dioxane
CID 117946254
5-methyl-2-[6-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]oxan-3-yl]-1,3-dioxane
CID 145627158
2-methoxy-3-[(E)-1-methoxybut-2-enyl]oxane
CID 10241901

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane?
The IUPAC name of 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane (CID 123926499) is 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane.
What is the SMILES notation for 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane?
The canonical SMILES for 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane is CCCC1COC(C2CCC(C(F)=CC(F)(F)F)OC2)OC1.
What is the InChIKey of 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane?
The InChIKey is CIPBJHRXIBSUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4O3/c1-2-3-10-7-21-14(22-8-10)11-4-5-13(20-9-11)12(16)6-15(17,18)19/h6,10-11,13-14H,2-5,7-9H2,1H3.
What are the key properties of 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane?
5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane has a molecular weight of 326.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[6-(1,3,3,3-tetrafluoroprop-1-enyl)oxan-3-yl]-1,3-dioxane is sourced from PubChem (CID 123926499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).