(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane

C14H13F3O — CID 15890704

IUPAC(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane
SMILESC=CC1COC/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3O/c1-2-11-8-18-9-12(11)7-10-3-5-13(6-4-10)14(15,16)17/h2-7,11H,1,8-9H2/b12-7+
InChIKeyMDIXAGGPPSKGHG-KPKJPENVSA-N
MW254.25 g/mol
LogP3.92
Rot. Bonds2

About (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane

(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane (PubChem CID 15890704) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane.

Molecular Properties

Compound Name(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane
PubChem CID15890704
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane
SMILESC=CC1COC/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3O/c1-2-11-8-18-9-12(11)7-10-3-5-13(6-4-10)14(15,16)17/h2-7,11H,1,8-9H2/b12-7+
InChIKeyMDIXAGGPPSKGHG-KPKJPENVSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl[(E)-4,4,4-trifluoro-2-butenyl] ether
CID 10910927
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
4-(Trifluoromethyl)benzylethyl ether
CID 11016877
4-(Trifluoromethyl)phenyl methanol, 2-methylpropyl ether
CID 57916976
4-(Trifluoromethyl)phenyl methanol, n-propyl ether
CID 68081808
4-(Trifluoromethyl)phenyl methanol, 2-methylbutyl ether
CID 91723152
4-(Trifluoromethyl)phenyl methanol, n-butyl ether
CID 91723335
(3-Ethoxy-3,3-difluoro-1-propenyl)benzene
CID 5387445
Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-
CID 11402200
[(E)-3-(trifluoromethoxy)prop-1-enyl]benzene
CID 21696255
2-[2-(2-Fluorophenyl)ethenyl]oxolane
CID 85860955
2,2-Difluoroethoxymethylbenzene
CID 89022242

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane?
The IUPAC name of (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane (CID 15890704) is (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane.
What is the SMILES notation for (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane?
The canonical SMILES for (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane is C=CC1COC/C1=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane?
The InChIKey is MDIXAGGPPSKGHG-KPKJPENVSA-N. The full InChI is InChI=1S/C14H13F3O/c1-2-11-8-18-9-12(11)7-10-3-5-13(6-4-10)14(15,16)17/h2-7,11H,1,8-9H2/b12-7+.
What are the key properties of (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane?
(4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane has a molecular weight of 254.25 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]oxolane is sourced from PubChem (CID 15890704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).