4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole

C11H12F6O2 — CID 155718084

IUPAC4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESC/C=C\C1=C(CCC)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C11H12F6O2/c1-3-5-7-8(6-4-2)19-9(18-7,10(12,13)14)11(15,16)17/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyOLNQMFAUGDKVFF-HYXAFXHYSA-N
MW290.20 g/mol
LogP4.44
Rot. Bonds3

About 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole

4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 155718084) has the molecular formula C11H12F6O2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole
PubChem CID155718084
Molecular FormulaC11H12F6O2
Molecular Weight290.20 g/mol
Exact Mass290.07
IUPAC Name4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESC/C=C\C1=C(CCC)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C11H12F6O2/c1-3-5-7-8(6-4-2)19-9(18-7,10(12,13)14)11(15,16)17/h3,5H,4,6H2,1-2H3/b5-3-
InChIKeyOLNQMFAUGDKVFF-HYXAFXHYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole (CID 155718084) is 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole is C/C=C\C1=C(CCC)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is OLNQMFAUGDKVFF-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H12F6O2/c1-3-5-7-8(6-4-2)19-9(18-7,10(12,13)14)11(15,16)17/h3,5H,4,6H2,1-2H3/b5-3-.
What are the key properties of 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole?
4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 290.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 155718084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).