8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene

C17H28F2O — CID 123385435

IUPAC8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene
SMILESCC=C(CC=CC(OC(C)C)C(CF)=C(C)F)CCC
InChIInChI=1S/C17H28F2O/c1-6-9-15(7-2)10-8-11-17(20-13(3)4)16(12-18)14(5)19/h7-8,11,13,17H,6,9-10,12H2,1-5H3
InChIKeyGOLUMRQQHDQAMR-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.69
Rot. Bonds9

About 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene

8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene (PubChem CID 123385435) has the molecular formula C17H28F2O and a molecular weight of 286.41 g/mol. Its IUPAC name is 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene.

Molecular Properties

Compound Name8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene
PubChem CID123385435
Molecular FormulaC17H28F2O
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene
SMILESCC=C(CC=CC(OC(C)C)C(CF)=C(C)F)CCC
InChIInChI=1S/C17H28F2O/c1-6-9-15(7-2)10-8-11-17(20-13(3)4)16(12-18)14(5)19/h7-8,11,13,17H,6,9-10,12H2,1-5H3
InChIKeyGOLUMRQQHDQAMR-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.69
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

2-Butyl-4-prop-2-enyl-2,5-dihydrofuran
CID 11052025
(2E,5E)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 10954135
Geraniol isopropylether
CID 21350906
(2Z,5Z)-3,5-dimethyl-4-prop-2-enoxyhepta-2,5-diene
CID 59047496
Nerol isopropylether
CID 101572065
1-(But-2-en-1-yloxy)-2,7-dimethylocta-2,7-diene
CID 142763698
(6E)-2,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015260
(6Z,8Z)-8,9-difluoro-2,7-dimethyl-5-methylidene-2,3,4,10-tetrahydrooxecine
CID 117811222
(3E)-4-methyl-2-(2,2,2-trifluoroethoxy)octa-1,3-diene
CID 121464247
3-Methyl-1-(2,2,2-trifluoroethoxy)undec-2-ene
CID 124020296
(3Z,5E)-5-ethyl-2-fluoro-7-propan-2-yloxyhepta-1,3,5-triene
CID 130371096
1-[(3Z,5E)-5-ethoxy-3,4-difluorohepta-1,3,5-trien-2-yl]-4-propylcyclohepta-1,3,5-triene
CID 132036622

Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene?
The IUPAC name of 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene (CID 123385435) is 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene.
What is the SMILES notation for 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene?
The canonical SMILES for 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene is CC=C(CC=CC(OC(C)C)C(CF)=C(C)F)CCC.
What is the InChIKey of 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene?
The InChIKey is GOLUMRQQHDQAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2O/c1-6-9-15(7-2)10-8-11-17(20-13(3)4)16(12-18)14(5)19/h7-8,11,13,17H,6,9-10,12H2,1-5H3.
What are the key properties of 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene?
8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene has a molecular weight of 286.41 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylidene-2-fluoro-3-(fluoromethyl)-4-propan-2-yloxyundeca-2,5-diene is sourced from PubChem (CID 123385435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).