(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane

C14H25F3O — CID 164918938

IUPAC(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
SMILESC=C(F)/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC
InChIInChI=1S/C10H13F3O.2C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;2*1-2/h4-6,8,14H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyRHCHSZZYILCIOE-QJYMLJTBSA-N
MW266.35 g/mol
LogP5.04
Rot. Bonds4

About (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane

(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane (PubChem CID 164918938) has the molecular formula C14H25F3O and a molecular weight of 266.35 g/mol. Its IUPAC name is (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane.

Molecular Properties

Compound Name(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
PubChem CID164918938
Molecular FormulaC14H25F3O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane
SMILESC=C(F)/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC
InChIInChI=1S/C10H13F3O.2C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;2*1-2/h4-6,8,14H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyRHCHSZZYILCIOE-QJYMLJTBSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.35
LogP ≤ 55.04
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 (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The IUPAC name of (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane (CID 164918938) is (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane.
What is the SMILES notation for (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The canonical SMILES for (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane is C=C(F)/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC.
What is the InChIKey of (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
The InChIKey is RHCHSZZYILCIOE-QJYMLJTBSA-N. The full InChI is InChI=1S/C10H13F3O.2C2H6/c1-4-5-6-9(7(2)11)10(12,13)8(3)14;2*1-2/h4-6,8,14H,2H2,1,3H3;2*1-2H3/b5-4-,9-6+;;.
What are the key properties of (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane?
(4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane has a molecular weight of 266.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3,3-difluoro-4-(1-fluoroethenyl)octa-4,6-dien-2-ol;ethane is sourced from PubChem (CID 164918938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).