1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene

C23H20F4 — CID 58981486

IUPAC1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H20F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14H,2-5H2,1H3
InChIKeyFFAZPKLJONELNX-UHFFFAOYSA-N
MW372.41 g/mol
LogP7.31
Rot. Bonds6

About 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene

1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene (PubChem CID 58981486) has the molecular formula C23H20F4 and a molecular weight of 372.41 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
PubChem CID58981486
Molecular FormulaC23H20F4
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H20F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14H,2-5H2,1H3
InChIKeyFFAZPKLJONELNX-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene (CID 58981486) is 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is FFAZPKLJONELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14H,2-5H2,1H3.
What are the key properties of 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 372.41 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 58981486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).