2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene

C22H20F2 — CID 67866294

IUPAC2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
SMILESCCCCc1ccc(-c2cc(F)ccc2-c2ccccc2F)cc1
InChIInChI=1S/C22H20F2/c1-2-3-6-16-9-11-17(12-10-16)21-15-18(23)13-14-19(21)20-7-4-5-8-22(20)24/h4-5,7-15H,2-3,6H2,1H3
InChIKeyZEOOERIPACOBLX-UHFFFAOYSA-N
MW322.40 g/mol
LogP6.64
Rot. Bonds5

About 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene

2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene (PubChem CID 67866294) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene.

Molecular Properties

Compound Name2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
PubChem CID67866294
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene
SMILESCCCCc1ccc(-c2cc(F)ccc2-c2ccccc2F)cc1
InChIInChI=1S/C22H20F2/c1-2-3-6-16-9-11-17(12-10-16)21-15-18(23)13-14-19(21)20-7-4-5-8-22(20)24/h4-5,7-15H,2-3,6H2,1H3
InChIKeyZEOOERIPACOBLX-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
1,2-difluoro-4-(2-fluorophenyl)-3-(4-octylphenyl)benzene
CID 54490547
4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
CID 67893585
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
1,4-difluoro-2-[4-fluoro-2-(4-hex-5-enylphenyl)phenyl]benzene
CID 56619637
4-fluoro-2-(4-propylphenyl)aniline
CID 55110546
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol
CID 142878399

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene?
The IUPAC name of 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene (CID 67866294) is 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene.
What is the SMILES notation for 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene?
The canonical SMILES for 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene is CCCCc1ccc(-c2cc(F)ccc2-c2ccccc2F)cc1.
What is the InChIKey of 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene?
The InChIKey is ZEOOERIPACOBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-2-3-6-16-9-11-17(12-10-16)21-15-18(23)13-14-19(21)20-7-4-5-8-22(20)24/h4-5,7-15H,2-3,6H2,1H3.
What are the key properties of 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene?
2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene has a molecular weight of 322.40 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-4-fluoro-1-(2-fluorophenyl)benzene is sourced from PubChem (CID 67866294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).