1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene

C18H24F2 — CID 67647115

IUPAC1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene
SMILESCCCCCC1(C2C=CC(C)=CC2)C(F)=CC=CC1F
InChIInChI=1S/C18H24F2/c1-3-4-5-13-18(15-11-9-14(2)10-12-15)16(19)7-6-8-17(18)20/h6-11,15-16H,3-5,12-13H2,1-2H3
InChIKeyMMYAIKFANPCSBB-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.84
Rot. Bonds5

About 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene

1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene (PubChem CID 67647115) has the molecular formula C18H24F2 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene
PubChem CID67647115
Molecular FormulaC18H24F2
Molecular Weight278.39 g/mol
Exact Mass278.18
IUPAC Name1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene
SMILESCCCCCC1(C2C=CC(C)=CC2)C(F)=CC=CC1F
InChIInChI=1S/C18H24F2/c1-3-4-5-13-18(15-11-9-14(2)10-12-15)16(19)7-6-8-17(18)20/h6-11,15-16H,3-5,12-13H2,1-2H3
InChIKeyMMYAIKFANPCSBB-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene?
The IUPAC name of 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene (CID 67647115) is 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene is CCCCCC1(C2C=CC(C)=CC2)C(F)=CC=CC1F.
What is the InChIKey of 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene?
The InChIKey is MMYAIKFANPCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2/c1-3-4-5-13-18(15-11-9-14(2)10-12-15)16(19)7-6-8-17(18)20/h6-11,15-16H,3-5,12-13H2,1-2H3.
What are the key properties of 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene?
1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene has a molecular weight of 278.39 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-6-(4-methylcyclohexa-2,4-dien-1-yl)-6-pentylcyclohexa-1,3-diene is sourced from PubChem (CID 67647115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).