(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol

C14H19F3O — CID 134408214

IUPAC(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol
SMILESC=C/C=C(\C=C/CC(F)(F)F)[C@@H](O)CCCC=C
InChIInChI=1S/C14H19F3O/c1-3-5-6-10-13(18)12(8-4-2)9-7-11-14(15,16)17/h3-4,7-9,13,18H,1-2,5-6,10-11H2/b9-7-,12-8+/t13-/m0/s1
InChIKeyGRBWULKSMWVJFN-DQIDJNQTSA-N
MW260.30 g/mol
LogP4.32
Rot. Bonds8

About (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol

(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol (PubChem CID 134408214) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol.

Molecular Properties

Compound Name(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol
PubChem CID134408214
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol
SMILESC=C/C=C(\C=C/CC(F)(F)F)[C@@H](O)CCCC=C
InChIInChI=1S/C14H19F3O/c1-3-5-6-10-13(18)12(8-4-2)9-7-11-14(15,16)17/h3-4,7-9,13,18H,1-2,5-6,10-11H2/b9-7-,12-8+/t13-/m0/s1
InChIKeyGRBWULKSMWVJFN-DQIDJNQTSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol?
The IUPAC name of (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol (CID 134408214) is (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol.
What is the SMILES notation for (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol?
The canonical SMILES for (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol is C=C/C=C(\C=C/CC(F)(F)F)[C@@H](O)CCCC=C.
What is the InChIKey of (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol?
The InChIKey is GRBWULKSMWVJFN-DQIDJNQTSA-N. The full InChI is InChI=1S/C14H19F3O/c1-3-5-6-10-13(18)12(8-4-2)9-7-11-14(15,16)17/h3-4,7-9,13,18H,1-2,5-6,10-11H2/b9-7-,12-8+/t13-/m0/s1.
What are the key properties of (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol?
(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol has a molecular weight of 260.30 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol is sourced from PubChem (CID 134408214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).