(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol

C13H10F6O2 — CID 134533451

IUPAC(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol
SMILESC=C/C(F)=C(/F)C(=C)C(=C)/C(O)=C(/F)C(=C)OC(F)(F)F
InChIInChI=1S/C13H10F6O2/c1-5-9(14)10(15)6(2)7(3)12(20)11(16)8(4)21-13(17,18)19/h5,20H,1-4H2/b10-9-,12-11-
InChIKeyJYGQRHZTJVGKOO-BASFJDSNSA-N
MW312.21 g/mol
LogP5.22
Rot. Bonds6

About (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol

(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol (PubChem CID 134533451) has the molecular formula C13H10F6O2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol.

Molecular Properties

Compound Name(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol
PubChem CID134533451
Molecular FormulaC13H10F6O2
Molecular Weight312.21 g/mol
Exact Mass312.06
IUPAC Name(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol
SMILESC=C/C(F)=C(/F)C(=C)C(=C)/C(O)=C(/F)C(=C)OC(F)(F)F
InChIInChI=1S/C13H10F6O2/c1-5-9(14)10(15)6(2)7(3)12(20)11(16)8(4)21-13(17,18)19/h5,20H,1-4H2/b10-9-,12-11-
InChIKeyJYGQRHZTJVGKOO-BASFJDSNSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.22
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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Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol?
The IUPAC name of (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol (CID 134533451) is (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol.
What is the SMILES notation for (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol?
The canonical SMILES for (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol is C=C/C(F)=C(/F)C(=C)C(=C)/C(O)=C(/F)C(=C)OC(F)(F)F.
What is the InChIKey of (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol?
The InChIKey is JYGQRHZTJVGKOO-BASFJDSNSA-N. The full InChI is InChI=1S/C13H10F6O2/c1-5-9(14)10(15)6(2)7(3)12(20)11(16)8(4)21-13(17,18)19/h5,20H,1-4H2/b10-9-,12-11-.
What are the key properties of (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol?
(3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol has a molecular weight of 312.21 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,7,8-trifluoro-5,6-dimethylidene-2-(trifluoromethoxy)deca-1,3,7,9-tetraen-4-ol is sourced from PubChem (CID 134533451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).