2,2,4-trifluoro-5-propyl-1,3-dioxole

C6H7F3O2 — CID 23553812

IUPAC2,2,4-trifluoro-5-propyl-1,3-dioxole
SMILESCCCC1=C(F)OC(F)(F)O1
InChIInChI=1S/C6H7F3O2/c1-2-3-4-5(7)11-6(8,9)10-4/h2-3H2,1H3
InChIKeyZBOTVESFGFTPDD-UHFFFAOYSA-N
MW168.11 g/mol
LogP2.52
Rot. Bonds2

About 2,2,4-trifluoro-5-propyl-1,3-dioxole

2,2,4-trifluoro-5-propyl-1,3-dioxole (PubChem CID 23553812) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-propyl-1,3-dioxole.

Molecular Properties

Compound Name2,2,4-trifluoro-5-propyl-1,3-dioxole
PubChem CID23553812
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name2,2,4-trifluoro-5-propyl-1,3-dioxole
SMILESCCCC1=C(F)OC(F)(F)O1
InChIInChI=1S/C6H7F3O2/c1-2-3-4-5(7)11-6(8,9)10-4/h2-3H2,1H3
InChIKeyZBOTVESFGFTPDD-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-propyl-1,3-dioxole?
The IUPAC name of 2,2,4-trifluoro-5-propyl-1,3-dioxole (CID 23553812) is 2,2,4-trifluoro-5-propyl-1,3-dioxole.
What is the SMILES notation for 2,2,4-trifluoro-5-propyl-1,3-dioxole?
The canonical SMILES for 2,2,4-trifluoro-5-propyl-1,3-dioxole is CCCC1=C(F)OC(F)(F)O1.
What is the InChIKey of 2,2,4-trifluoro-5-propyl-1,3-dioxole?
The InChIKey is ZBOTVESFGFTPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-2-3-4-5(7)11-6(8,9)10-4/h2-3H2,1H3.
What are the key properties of 2,2,4-trifluoro-5-propyl-1,3-dioxole?
2,2,4-trifluoro-5-propyl-1,3-dioxole has a molecular weight of 168.11 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-propyl-1,3-dioxole is sourced from PubChem (CID 23553812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).