(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene

C21H28F4O — CID 143875087

IUPAC(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
SMILESC=C(C)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C21H28F4O/c1-9-26-17(8)21(25)20(24)16(7)14(5)11-10-13(4)15(6)19(23)18(22)12(2)3/h13-14H,2,6-11H2,1,3-5H3/b19-18-,21-20-
InChIKeyBEEIKEHQCICTMH-IBNZCFEPSA-N
MW372.45 g/mol
LogP7.58
Rot. Bonds11

About (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene

(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene (PubChem CID 143875087) has the molecular formula C21H28F4O and a molecular weight of 372.45 g/mol. Its IUPAC name is (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene.

Molecular Properties

Compound Name(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
PubChem CID143875087
Molecular FormulaC21H28F4O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene
SMILESC=C(C)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C21H28F4O/c1-9-26-17(8)21(25)20(24)16(7)14(5)11-10-13(4)15(6)19(23)18(22)12(2)3/h13-14H,2,6-11H2,1,3-5H3/b19-18-,21-20-
InChIKeyBEEIKEHQCICTMH-IBNZCFEPSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,5-diethoxy-3,4-difluorohexa-1,3,5-triene
CID 145009677
4-[(1E,8Z)-10-ethoxy-8,9-difluoro-3,6-dimethyl-7-methylideneundeca-1,8,10-trienyl]-2-fluorophenol
CID 143875132
4-[(7Z)-9-ethoxy-7,8-difluoro-2,5-dimethyl-6-methylidenedeca-7,9-dienoxy]-2,3-difluorophenol
CID 143875320
but-1-ene;(3Z,11Z)-3,4,11,12-tetrafluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875080
(Z)-7,8-difluoro-2,5,10,13,14,17-hexamethyl-6,9-dimethylideneoctadec-7-ene
CID 143777022
(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875384
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17,18-trimethyl-5,6,9,10,13-pentamethylidene-2-prop-2-enoxydocosa-1,3,7,11-tetraene
CID 143772829
ethene;(4E,7Z,15Z)-7,8,15,16-tetrafluoro-17-methoxy-5,10,13-trimethyl-6,9,14-trimethylideneoctadeca-4,7,15,17-tetraen-2-ol
CID 143909089
ethane;2-ethoxy-3-methylbuta-1,3-diene
CID 144636668
1-[(7Z)-7,8-difluoro-2,5,9-trimethyl-6-methylidenedeca-7,9-dienoxy]-2-fluoro-4-methylbenzene
CID 143875246
4-[[(7Z)-7,8-difluoro-5,9-dimethyl-6-methylidenedeca-7,9-dien-2-yl]oxymethyl]-2-fluoro-1-methylbenzene
CID 143875207
prop-1-ene;(3E,11Z)-4,11,12-trifluoro-13-methoxy-6,9-dimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraen-2-ol
CID 143875383

Frequently Asked Questions

What is the IUPAC name of (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The IUPAC name of (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene (CID 143875087) is (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene.
What is the SMILES notation for (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The canonical SMILES for (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene is C=C(C)/C(F)=C(/F)C(=C)C(C)CCC(C)C(=C)/C(F)=C(/F)C(=C)OCC.
What is the InChIKey of (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
The InChIKey is BEEIKEHQCICTMH-IBNZCFEPSA-N. The full InChI is InChI=1S/C21H28F4O/c1-9-26-17(8)21(25)20(24)16(7)14(5)11-10-13(4)15(6)19(23)18(22)12(2)3/h13-14H,2,6-11H2,1,3-5H3/b19-18-,21-20-.
What are the key properties of (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene?
(3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene has a molecular weight of 372.45 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,11Z)-2-ethoxy-3,4,11,12-tetrafluoro-6,9,13-trimethyl-5,10-dimethylidenetetradeca-1,3,11,13-tetraene is sourced from PubChem (CID 143875087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).