(3E)-6-fluorohepta-1,3-dien-3-ol

C7H11FO — CID 129157373

IUPAC(3E)-6-fluorohepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\CC(C)F
InChIInChI=1S/C7H11FO/c1-3-7(9)5-4-6(2)8/h3,5-6,9H,1,4H2,2H3/b7-5+
InChIKeyNMEVMSLNYDQQCZ-FNORWQNLSA-N
MW130.16 g/mol
LogP2.36
Rot. Bonds3

About (3E)-6-fluorohepta-1,3-dien-3-ol

(3E)-6-fluorohepta-1,3-dien-3-ol (PubChem CID 129157373) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (3E)-6-fluorohepta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3E)-6-fluorohepta-1,3-dien-3-ol
PubChem CID129157373
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(3E)-6-fluorohepta-1,3-dien-3-ol
SMILESC=C/C(O)=C\CC(C)F
InChIInChI=1S/C7H11FO/c1-3-7(9)5-4-6(2)8/h3,5-6,9H,1,4H2,2H3/b7-5+
InChIKeyNMEVMSLNYDQQCZ-FNORWQNLSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-fluorohepta-1,3-dien-3-ol?
The IUPAC name of (3E)-6-fluorohepta-1,3-dien-3-ol (CID 129157373) is (3E)-6-fluorohepta-1,3-dien-3-ol.
What is the SMILES notation for (3E)-6-fluorohepta-1,3-dien-3-ol?
The canonical SMILES for (3E)-6-fluorohepta-1,3-dien-3-ol is C=C/C(O)=C\CC(C)F.
What is the InChIKey of (3E)-6-fluorohepta-1,3-dien-3-ol?
The InChIKey is NMEVMSLNYDQQCZ-FNORWQNLSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-7(9)5-4-6(2)8/h3,5-6,9H,1,4H2,2H3/b7-5+.
What are the key properties of (3E)-6-fluorohepta-1,3-dien-3-ol?
(3E)-6-fluorohepta-1,3-dien-3-ol has a molecular weight of 130.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluorohepta-1,3-dien-3-ol is sourced from PubChem (CID 129157373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).