1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene

C14H16F2 — CID 89312736

IUPAC1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene
SMILESC=C/C(C)=C\c1c(C)c(F)c(C)c(C)c1F
InChIInChI=1S/C14H16F2/c1-6-8(2)7-12-11(5)13(15)9(3)10(4)14(12)16/h6-7H,1H2,2-5H3/b8-7-
InChIKeyUAEBGMRFAOZBKS-FPLPWBNLSA-N
MW222.28 g/mol
LogP4.48
Rot. Bonds2

About 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene

1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene (PubChem CID 89312736) has the molecular formula C14H16F2 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene
PubChem CID89312736
Molecular FormulaC14H16F2
Molecular Weight222.28 g/mol
Exact Mass222.12
IUPAC Name1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene
SMILESC=C/C(C)=C\c1c(C)c(F)c(C)c(C)c1F
InChIInChI=1S/C14H16F2/c1-6-8(2)7-12-11(5)13(15)9(3)10(4)14(12)16/h6-7H,1H2,2-5H3/b8-7-
InChIKeyUAEBGMRFAOZBKS-FPLPWBNLSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene?
The IUPAC name of 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene (CID 89312736) is 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene.
What is the SMILES notation for 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene?
The canonical SMILES for 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene is C=C/C(C)=C\c1c(C)c(F)c(C)c(C)c1F.
What is the InChIKey of 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene?
The InChIKey is UAEBGMRFAOZBKS-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H16F2/c1-6-8(2)7-12-11(5)13(15)9(3)10(4)14(12)16/h6-7H,1H2,2-5H3/b8-7-.
What are the key properties of 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene?
1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene has a molecular weight of 222.28 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,3,5-trimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]benzene is sourced from PubChem (CID 89312736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).