(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol

C14H15F3O2 — CID 142512819

IUPAC(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol
SMILESC=C/C(F)=C(/O)C(=C)C(=C)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C14H15F3O2/c1-6-11(15)14(18)9(4)8(3)12(16)13(17)10(5)19-7-2/h6,18H,1,3-5,7H2,2H3/b13-12-,14-11-
InChIKeyVTUNBAMZQMWGIM-NIHAPQRKSA-N
MW272.27 g/mol
LogP4.72
Rot. Bonds7

About (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol

(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol (PubChem CID 142512819) has the molecular formula C14H15F3O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol.

Molecular Properties

Compound Name(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol
PubChem CID142512819
Molecular FormulaC14H15F3O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol
SMILESC=C/C(F)=C(/O)C(=C)C(=C)/C(F)=C(/F)C(=C)OCC
InChIInChI=1S/C14H15F3O2/c1-6-11(15)14(18)9(4)8(3)12(16)13(17)10(5)19-7-2/h6,18H,1,3-5,7H2,2H3/b13-12-,14-11-
InChIKeyVTUNBAMZQMWGIM-NIHAPQRKSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[2-Ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol
CID 88515660
6-(2-Fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
CID 90947577
(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol
CID 134533451
(5E,7Z,9E)-7,8-difluoro-9-[(5-methoxycyclohepta-1,4,6-trien-1-yl)methoxy]undeca-5,7,9-trien-1-ol
CID 137487712
(2,7-Difluoro-4,6-dimethoxycyclohepta-1,4,6-trien-1-yl)methanol
CID 139420941
(1S)-1-fluoro-1-(7-fluoro-5-pentoxycyclohepta-1,3,5-trien-1-yl)ethanol
CID 139541115
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-pent-4-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143772461
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773228
(4E,7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773271
(4Z,6E)-1,1,1-trifluoro-3-methylidene-7-prop-2-enoxyocta-4,6-dien-2-ol
CID 167181091
(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol
CID 144515913
[3,5-difluoro-4-[(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]oxycyclohexa-1,5-dien-1-yl]methanol
CID 162576017

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol?
The IUPAC name of (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol (CID 142512819) is (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol.
What is the SMILES notation for (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol?
The canonical SMILES for (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol is C=C/C(F)=C(/O)C(=C)C(=C)/C(F)=C(/F)C(=C)OCC.
What is the InChIKey of (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol?
The InChIKey is VTUNBAMZQMWGIM-NIHAPQRKSA-N. The full InChI is InChI=1S/C14H15F3O2/c1-6-11(15)14(18)9(4)8(3)12(16)13(17)10(5)19-7-2/h6,18H,1,3-5,7H2,2H3/b13-12-,14-11-.
What are the key properties of (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol?
(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol has a molecular weight of 272.27 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol is sourced from PubChem (CID 142512819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).