1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene

C16H16F2 — CID 174779552

IUPAC1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
SMILESCCC(Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F2/c1-2-12(13-7-9-15(17)10-8-13)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3
InChIKeyDGFPLFAQWKPJFB-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.70
Rot. Bonds4

About 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene

1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene (PubChem CID 174779552) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
PubChem CID174779552
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
SMILESCCC(Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F2/c1-2-12(13-7-9-15(17)10-8-13)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3
InChIKeyDGFPLFAQWKPJFB-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
1-(4-butan-2-ylphenyl)-2-(2-fluorophenyl)ethanol
CID 63425921
1-(3-bromo-2-phenylpropyl)-2-fluorobenzene
CID 66043262
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
3-(4-fluorophenyl)pentan-1-amine
CID 15014572
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
1-(3-bromo-2-methylpentyl)-2-fluorobenzene
CID 63561092
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-fluoro-2-[2-[1-(2-fluorophenyl)butan-2-yldisulfanyl]butyl]benzene
CID 87128788
2-(4-fluorophenyl)-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 82160549

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene?
The IUPAC name of 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene (CID 174779552) is 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene is CCC(Cc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene?
The InChIKey is DGFPLFAQWKPJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-2-12(13-7-9-15(17)10-8-13)11-14-5-3-4-6-16(14)18/h3-10,12H,2,11H2,1H3.
What are the key properties of 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene?
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene has a molecular weight of 246.30 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene is sourced from PubChem (CID 174779552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).