2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde

C14H14F2O — CID 143993622

IUPAC2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde
SMILESC/C(=C\C=C(\F)CF)c1ccccc1CC=O
InChIInChI=1S/C14H14F2O/c1-11(6-7-13(16)10-15)14-5-3-2-4-12(14)8-9-17/h2-7,9H,8,10H2,1H3/b11-6+,13-7+
InChIKeyAPHOVKADDWETLK-NBPRNCBBSA-N
MW236.26 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde

2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde (PubChem CID 143993622) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde
PubChem CID143993622
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde
SMILESC/C(=C\C=C(\F)CF)c1ccccc1CC=O
InChIInChI=1S/C14H14F2O/c1-11(6-7-13(16)10-15)14-5-3-2-4-12(14)8-9-17/h2-7,9H,8,10H2,1H3/b11-6+,13-7+
InChIKeyAPHOVKADDWETLK-NBPRNCBBSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde?
The IUPAC name of 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde (CID 143993622) is 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde is C/C(=C\C=C(\F)CF)c1ccccc1CC=O.
What is the InChIKey of 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde?
The InChIKey is APHOVKADDWETLK-NBPRNCBBSA-N. The full InChI is InChI=1S/C14H14F2O/c1-11(6-7-13(16)10-15)14-5-3-2-4-12(14)8-9-17/h2-7,9H,8,10H2,1H3/b11-6+,13-7+.
What are the key properties of 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde?
2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde has a molecular weight of 236.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4E)-5,6-difluorohexa-2,4-dien-2-yl]phenyl]acetaldehyde is sourced from PubChem (CID 143993622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).