2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene

C24H24F2O — CID 21269863

IUPAC2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene
SMILESCC(C)(CCCc1cccc(Oc2ccc(F)cc2)c1F)c1ccccc1
InChIInChI=1S/C24H24F2O/c1-24(2,19-10-4-3-5-11-19)17-7-9-18-8-6-12-22(23(18)26)27-21-15-13-20(25)14-16-21/h3-6,8,10-16H,7,9,17H2,1-2H3
InChIKeyGDPQZEZYLVLEOO-UHFFFAOYSA-N
MW366.45 g/mol
LogP7.06
Rot. Bonds7

About 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene

2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene (PubChem CID 21269863) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene
PubChem CID21269863
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene
SMILESCC(C)(CCCc1cccc(Oc2ccc(F)cc2)c1F)c1ccccc1
InChIInChI=1S/C24H24F2O/c1-24(2,19-10-4-3-5-11-19)17-7-9-18-8-6-12-22(23(18)26)27-21-15-13-20(25)14-16-21/h3-6,8,10-16H,7,9,17H2,1-2H3
InChIKeyGDPQZEZYLVLEOO-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenoxy)-3-[4-(4-fluorophenyl)-4-methylhex-5-ynyl]-2-phenoxybenzene
CID 88646618
2-[4-(4-chlorophenyl)-4-methylpentyl]-1-fluoro-4-phenoxybenzene
CID 21269674
1-(chloromethyl)-2-fluoro-3-phenoxybenzene
CID 141096763
1-fluoro-4-[3-[4-methyl-4-(3-methylphenyl)pentyl]phenoxy]benzene
CID 21269746
1-fluoro-4-[4-methyl-4-(3-methylphenyl)pentyl]-2-phenoxybenzene
CID 21269757
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
CID 66843725
1-bromo-2-[4-methyl-4-(4-methylphenyl)pentyl]-4-phenoxybenzene
CID 21269736
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
1-fluoro-4-[4-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]pentyl]-2-phenoxybenzene
CID 54014319
1-[chloro(difluoro)methoxy]-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 14155768
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
1,2-dibromo-4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzene
CID 21269868

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene?
The IUPAC name of 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene (CID 21269863) is 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene.
What is the SMILES notation for 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene?
The canonical SMILES for 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene is CC(C)(CCCc1cccc(Oc2ccc(F)cc2)c1F)c1ccccc1.
What is the InChIKey of 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene?
The InChIKey is GDPQZEZYLVLEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/c1-24(2,19-10-4-3-5-11-19)17-7-9-18-8-6-12-22(23(18)26)27-21-15-13-20(25)14-16-21/h3-6,8,10-16H,7,9,17H2,1-2H3.
What are the key properties of 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene?
2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene has a molecular weight of 366.45 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene is sourced from PubChem (CID 21269863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).