1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene

C16H20F2 — CID 170081606

IUPAC1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene
SMILESCC(=C/c1ccc(F)c(F)c1)/C=C(\C)C(C)(C)C
InChIInChI=1S/C16H20F2/c1-11(8-12(2)16(3,4)5)9-13-6-7-14(17)15(18)10-13/h6-10H,1-5H3/b11-9-,12-8+
InChIKeyFLCVRQYDKPWDBF-NFDHXRNHSA-N
MW250.33 g/mol
LogP5.36
Rot. Bonds2

About 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene

1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene (PubChem CID 170081606) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene
PubChem CID170081606
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene
SMILESCC(=C/c1ccc(F)c(F)c1)/C=C(\C)C(C)(C)C
InChIInChI=1S/C16H20F2/c1-11(8-12(2)16(3,4)5)9-13-6-7-14(17)15(18)10-13/h6-10H,1-5H3/b11-9-,12-8+
InChIKeyFLCVRQYDKPWDBF-NFDHXRNHSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene (CID 170081606) is 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene is CC(=C/c1ccc(F)c(F)c1)/C=C(\C)C(C)(C)C.
What is the InChIKey of 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene?
The InChIKey is FLCVRQYDKPWDBF-NFDHXRNHSA-N. The full InChI is InChI=1S/C16H20F2/c1-11(8-12(2)16(3,4)5)9-13-6-7-14(17)15(18)10-13/h6-10H,1-5H3/b11-9-,12-8+.
What are the key properties of 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene?
1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene has a molecular weight of 250.33 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(1Z,3E)-2,4,5,5-tetramethylhexa-1,3-dienyl]benzene is sourced from PubChem (CID 170081606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).