3,4-di(ethylidene)-2-(trifluoromethyl)oxolane

C9H11F3O — CID 123869258

IUPAC3,4-di(ethylidene)-2-(trifluoromethyl)oxolane
SMILESCC=C1COC(C(F)(F)F)C1=CC
InChIInChI=1S/C9H11F3O/c1-3-6-5-13-8(7(6)4-2)9(10,11)12/h3-4,8H,5H2,1-2H3
InChIKeyQWNSUALQKKBTMV-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.84
Rot. Bonds

About 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane

3,4-di(ethylidene)-2-(trifluoromethyl)oxolane (PubChem CID 123869258) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name3,4-di(ethylidene)-2-(trifluoromethyl)oxolane
PubChem CID123869258
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name3,4-di(ethylidene)-2-(trifluoromethyl)oxolane
SMILESCC=C1COC(C(F)(F)F)C1=CC
InChIInChI=1S/C9H11F3O/c1-3-6-5-13-8(7(6)4-2)9(10,11)12/h3-4,8H,5H2,1-2H3
InChIKeyQWNSUALQKKBTMV-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane?
The IUPAC name of 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane (CID 123869258) is 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane?
The canonical SMILES for 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane is CC=C1COC(C(F)(F)F)C1=CC.
What is the InChIKey of 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane?
The InChIKey is QWNSUALQKKBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-3-6-5-13-8(7(6)4-2)9(10,11)12/h3-4,8H,5H2,1-2H3.
What are the key properties of 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane?
3,4-di(ethylidene)-2-(trifluoromethyl)oxolane has a molecular weight of 192.18 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(ethylidene)-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 123869258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).