(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol

C8H9F3O — CID 126727970

IUPAC(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol
SMILESC=C/C=C(\C=C/CO)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+
InChIKeyZEHOWNADDXXPGX-XKSOLRDRSA-N
MW178.15 g/mol
LogP2.21
Rot. Bonds3

About (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol

(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol (PubChem CID 126727970) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol
PubChem CID126727970
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol
SMILESC=C/C=C(\C=C/CO)C(F)(F)F
InChIInChI=1S/C8H9F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+
InChIKeyZEHOWNADDXXPGX-XKSOLRDRSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 52.21
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 (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol (CID 126727970) is (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol is C=C/C=C(\C=C/CO)C(F)(F)F.
What is the InChIKey of (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol?
The InChIKey is ZEHOWNADDXXPGX-XKSOLRDRSA-N. The full InChI is InChI=1S/C8H9F3O/c1-2-4-7(5-3-6-12)8(9,10)11/h2-5,12H,1,6H2/b5-3-,7-4+.
What are the key properties of (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol?
(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol has a molecular weight of 178.15 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-1-ol is sourced from PubChem (CID 126727970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).