(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane

C10H15F3O — CID 170045266

IUPAC(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane
SMILESCC/C(C)=C1/C(C)OCC1C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-6(2)9-7(3)14-5-8(9)10(11,12)13/h7-8H,4-5H2,1-3H3/b9-6-
InChIKeyCZXKBMJZBMBBTI-TWGQIWQCSA-N
MW208.22 g/mol
LogP3.31
Rot. Bonds1

About (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane

(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane (PubChem CID 170045266) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane
PubChem CID170045266
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane
SMILESCC/C(C)=C1/C(C)OCC1C(F)(F)F
InChIInChI=1S/C10H15F3O/c1-4-6(2)9-7(3)14-5-8(9)10(11,12)13/h7-8H,4-5H2,1-3H3/b9-6-
InChIKeyCZXKBMJZBMBBTI-TWGQIWQCSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane?
The IUPAC name of (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane (CID 170045266) is (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane.
What is the SMILES notation for (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane?
The canonical SMILES for (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane is CC/C(C)=C1/C(C)OCC1C(F)(F)F.
What is the InChIKey of (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane?
The InChIKey is CZXKBMJZBMBBTI-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-6(2)9-7(3)14-5-8(9)10(11,12)13/h7-8H,4-5H2,1-3H3/b9-6-.
What are the key properties of (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane?
(3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane has a molecular weight of 208.22 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-butan-2-ylidene-2-methyl-4-(trifluoromethyl)oxolane is sourced from PubChem (CID 170045266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).