4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene

C25H27F — CID 44828777

IUPAC4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
InChIInChI=1S/C25H27F/c1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21/h8-18H,3-7H2,1-2H3
InChIKeyQMKGWSJTHAJNHZ-UHFFFAOYSA-N
MW346.49 g/mol
LogP7.45
Rot. Bonds7

About 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene

4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene (PubChem CID 44828777) has the molecular formula C25H27F and a molecular weight of 346.49 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene
PubChem CID44828777
Molecular FormulaC25H27F
Molecular Weight346.49 g/mol
Exact Mass346.21
IUPAC Name4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1
InChIInChI=1S/C25H27F/c1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21/h8-18H,3-7H2,1-2H3
InChIKeyQMKGWSJTHAJNHZ-UHFFFAOYSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.49
LogP ≤ 57.45
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 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene?
The IUPAC name of 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene (CID 44828777) is 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene.
What is the SMILES notation for 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene?
The canonical SMILES for 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene?
The InChIKey is QMKGWSJTHAJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F/c1-3-5-6-7-20-10-14-22(15-11-20)24-17-16-23(18-25(24)26)21-12-8-19(4-2)9-13-21/h8-18H,3-7H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene?
4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene has a molecular weight of 346.49 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene is sourced from PubChem (CID 44828777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).