(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol

C12H18F2O3 — CID 131843890

IUPAC(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol
SMILESOC/C=C\C(F)(F)/C=C\COC1CCCCO1
InChIInChI=1S/C12H18F2O3/c13-12(14,6-3-8-15)7-4-10-17-11-5-1-2-9-16-11/h3-4,6-7,11,15H,1-2,5,8-10H2/b6-3-,7-4-
InChIKeyDZDPSJRHOZOYED-VKOMYYDGSA-N
MW248.27 g/mol
LogP2.27
Rot. Bonds6

About (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol

(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol (PubChem CID 131843890) has the molecular formula C12H18F2O3 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol
PubChem CID131843890
Molecular FormulaC12H18F2O3
Molecular Weight248.27 g/mol
Exact Mass248.12
IUPAC Name(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol
SMILESOC/C=C\C(F)(F)/C=C\COC1CCCCO1
InChIInChI=1S/C12H18F2O3/c13-12(14,6-3-8-15)7-4-10-17-11-5-1-2-9-16-11/h3-4,6-7,11,15H,1-2,5,8-10H2/b6-3-,7-4-
InChIKeyDZDPSJRHOZOYED-VKOMYYDGSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol?
The IUPAC name of (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol (CID 131843890) is (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol.
What is the SMILES notation for (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol?
The canonical SMILES for (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol is OC/C=C\C(F)(F)/C=C\COC1CCCCO1.
What is the InChIKey of (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol?
The InChIKey is DZDPSJRHOZOYED-VKOMYYDGSA-N. The full InChI is InChI=1S/C12H18F2O3/c13-12(14,6-3-8-15)7-4-10-17-11-5-1-2-9-16-11/h3-4,6-7,11,15H,1-2,5,8-10H2/b6-3-,7-4-.
What are the key properties of (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol?
(2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol has a molecular weight of 248.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-4,4-difluoro-7-(oxan-2-yloxy)hepta-2,5-dien-1-ol is sourced from PubChem (CID 131843890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).