(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol

C9H12F2O — CID 143267703

IUPAC(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol
SMILESC=C(F)/C=C(/CC(C)O)C(=C)F
InChIInChI=1S/C9H12F2O/c1-6(10)4-9(8(3)11)5-7(2)12/h4,7,12H,1,3,5H2,2H3/b9-4-
InChIKeyKELSKIFQFVVKNX-WTKPLQERSA-N
MW174.19 g/mol
LogP2.65
Rot. Bonds4

About (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol

(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol (PubChem CID 143267703) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol
PubChem CID143267703
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol
SMILESC=C(F)/C=C(/CC(C)O)C(=C)F
InChIInChI=1S/C9H12F2O/c1-6(10)4-9(8(3)11)5-7(2)12/h4,7,12H,1,3,5H2,2H3/b9-4-
InChIKeyKELSKIFQFVVKNX-WTKPLQERSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.65
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 (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol?
The IUPAC name of (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol (CID 143267703) is (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol.
What is the SMILES notation for (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol?
The canonical SMILES for (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol is C=C(F)/C=C(/CC(C)O)C(=C)F.
What is the InChIKey of (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol?
The InChIKey is KELSKIFQFVVKNX-WTKPLQERSA-N. The full InChI is InChI=1S/C9H12F2O/c1-6(10)4-9(8(3)11)5-7(2)12/h4,7,12H,1,3,5H2,2H3/b9-4-.
What are the key properties of (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol?
(4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol has a molecular weight of 174.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-fluoro-4-(1-fluoroethenyl)hepta-4,6-dien-2-ol is sourced from PubChem (CID 143267703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).