(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol

C13H19F3O — CID 143267807

IUPAC(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CCC)/C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-4-7-11(17)9-10(6-3)12(8-5-2)13(14,15)16/h5-6,8,11,17H,2,4,7,9H2,1,3H3/b10-6-,12-8+
InChIKeyQGNGUMIIIONIGL-MJONFVJTSA-N
MW248.29 g/mol
LogP4.16
Rot. Bonds6

About (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol

(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol (PubChem CID 143267807) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol.

Molecular Properties

Compound Name(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol
PubChem CID143267807
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol
SMILESC=C/C=C(C(=C/C)\CC(O)CCC)/C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-4-7-11(17)9-10(6-3)12(8-5-2)13(14,15)16/h5-6,8,11,17H,2,4,7,9H2,1,3H3/b10-6-,12-8+
InChIKeyQGNGUMIIIONIGL-MJONFVJTSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol?
The IUPAC name of (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol (CID 143267807) is (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol.
What is the SMILES notation for (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol?
The canonical SMILES for (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol is C=C/C=C(C(=C/C)\CC(O)CCC)/C(F)(F)F.
What is the InChIKey of (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol?
The InChIKey is QGNGUMIIIONIGL-MJONFVJTSA-N. The full InChI is InChI=1S/C13H19F3O/c1-4-7-11(17)9-10(6-3)12(8-5-2)13(14,15)16/h5-6,8,11,17H,2,4,7,9H2,1,3H3/b10-6-,12-8+.
What are the key properties of (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol?
(6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol has a molecular weight of 248.29 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,7E)-6-ethylidene-7-(trifluoromethyl)deca-7,9-dien-4-ol is sourced from PubChem (CID 143267807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).