(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol

C9H11F3O — CID 89209626

IUPAC(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(O)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-3-5-6-7(4-2)8(13)9(10,11)12/h3-6,8,13H,2H2,1H3/b5-3-,7-6+
InChIKeyTVNHLTJXXQHWSW-AIJKMKQJSA-N
MW192.18 g/mol
LogP2.60
Rot. Bonds3

About (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol

(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol (PubChem CID 89209626) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol
PubChem CID89209626
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(O)C(F)(F)F
InChIInChI=1S/C9H11F3O/c1-3-5-6-7(4-2)8(13)9(10,11)12/h3-6,8,13H,2H2,1H3/b5-3-,7-6+
InChIKeyTVNHLTJXXQHWSW-AIJKMKQJSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.60
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 (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol?
The IUPAC name of (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol (CID 89209626) is (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol is C=C/C(=C\C=C/C)C(O)C(F)(F)F.
What is the InChIKey of (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol?
The InChIKey is TVNHLTJXXQHWSW-AIJKMKQJSA-N. The full InChI is InChI=1S/C9H11F3O/c1-3-5-6-7(4-2)8(13)9(10,11)12/h3-6,8,13H,2H2,1H3/b5-3-,7-6+.
What are the key properties of (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol?
(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol has a molecular weight of 192.18 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol is sourced from PubChem (CID 89209626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).