(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol

C8H11F3O — CID 88996205

IUPAC(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol
SMILESC=CCC/C(=C/CO)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h2,5,12H,1,3-4,6H2/b7-5-
InChIKeyKLNALZNWMLBIHF-ALCCZGGFSA-N
MW180.17 g/mol
LogP2.43
Rot. Bonds4

About (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol

(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol (PubChem CID 88996205) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol
PubChem CID88996205
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol
SMILESC=CCC/C(=C/CO)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h2,5,12H,1,3-4,6H2/b7-5-
InChIKeyKLNALZNWMLBIHF-ALCCZGGFSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol?
The IUPAC name of (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol (CID 88996205) is (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol.
What is the SMILES notation for (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol?
The canonical SMILES for (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol is C=CCC/C(=C/CO)C(F)(F)F.
What is the InChIKey of (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol?
The InChIKey is KLNALZNWMLBIHF-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H11F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h2,5,12H,1,3-4,6H2/b7-5-.
What are the key properties of (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol?
(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol has a molecular weight of 180.17 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol is sourced from PubChem (CID 88996205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).