(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane

C14H19F3O2 — CID 177207236

IUPAC(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane
SMILESC=C(/C=C1\C(=C)C(F)C(CCC)OC1C)OC(F)F
InChIInChI=1S/C14H19F3O2/c1-5-6-12-13(15)9(3)11(10(4)19-12)7-8(2)18-14(16)17/h7,10,12-14H,2-3,5-6H2,1,4H3/b11-7+
InChIKeyHEBBCMIEBVBPJA-YRNVUSSQSA-N
MW276.30 g/mol
LogP4.15
Rot. Bonds5

About (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane

(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane (PubChem CID 177207236) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane.

Molecular Properties

Compound Name(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane
PubChem CID177207236
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane
SMILESC=C(/C=C1\C(=C)C(F)C(CCC)OC1C)OC(F)F
InChIInChI=1S/C14H19F3O2/c1-5-6-12-13(15)9(3)11(10(4)19-12)7-8(2)18-14(16)17/h7,10,12-14H,2-3,5-6H2,1,4H3/b11-7+
InChIKeyHEBBCMIEBVBPJA-YRNVUSSQSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Heptan-4-yloxy-1-(2,2,2-trifluoroethyl)cyclohexene
CID 68341269
4,4-Difluoro-7-methyl-3-(trifluoromethyl)-1,3,5,6-tetrahydroisochromene
CID 71083788
1-[(2,2-Difluoro-3-propan-2-yloxypropoxy)methyl]-4-ethenylcyclohepta-1,3-diene
CID 91543111
1-[(4-Ethoxycyclohexyl)oxy-difluoromethyl]-5,5,6,6-tetrafluoro-4-propylcyclohexa-1,3-diene
CID 121478628
2-[[(5S)-decan-5-yl]oxymethyl]-5-fluorocyclohexa-1,3-diene
CID 122432431
(2R,6S)-2-(iodomethyl)-6-[(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-yl]oxane
CID 134408111
2-(6-Fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)-6-propyloxane
CID 134408167
5-Methyl-2-(5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-dien-1-yl)oxane
CID 137537915
1-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-2-fluoro-4-[1-(2-methylpropoxy)ethyl]cyclohexa-1,3-diene
CID 143772400
2-fluoro-4-[(3Z)-7-fluoro-5,6-dimethylideneocta-1,3,7-trien-2-yl]-1-(1-methoxyethyl)cyclohexa-1,3-diene
CID 143772912
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-pentyloxane
CID 143889248
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethyloxane
CID 143889593

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane?
The IUPAC name of (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane (CID 177207236) is (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane.
What is the SMILES notation for (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane?
The canonical SMILES for (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane is C=C(/C=C1\C(=C)C(F)C(CCC)OC1C)OC(F)F.
What is the InChIKey of (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane?
The InChIKey is HEBBCMIEBVBPJA-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-5-6-12-13(15)9(3)11(10(4)19-12)7-8(2)18-14(16)17/h7,10,12-14H,2-3,5-6H2,1,4H3/b11-7+.
What are the key properties of (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane?
(3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane has a molecular weight of 276.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[2-(difluoromethoxy)prop-2-enylidene]-5-fluoro-2-methyl-4-methylidene-6-propyloxane is sourced from PubChem (CID 177207236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).