1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene

C21H19F — CID 173254875

IUPAC1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
SMILESFc1cccc(CCCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H19F/c22-21-11-5-8-18(16-21)7-4-6-17-12-14-20(15-13-17)19-9-2-1-3-10-19/h1-3,5,8-16H,4,6-7H2
InChIKeyZDFBIZISVAWZIG-UHFFFAOYSA-N
MW290.38 g/mol
LogP5.67
Rot. Bonds5

About 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene

1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene (PubChem CID 173254875) has the molecular formula C21H19F and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
PubChem CID173254875
Molecular FormulaC21H19F
Molecular Weight290.38 g/mol
Exact Mass290.15
IUPAC Name1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
SMILESFc1cccc(CCCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H19F/c22-21-11-5-8-18(16-21)7-4-6-17-12-14-20(15-13-17)19-9-2-1-3-10-19/h1-3,5,8-16H,4,6-7H2
InChIKeyZDFBIZISVAWZIG-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
CID 174588625
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
1,4-bis(3-phenylpropyl)benzene
CID 59467322
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
acetylene;1-butyl-3-fluorobenzene
CID 142913636
4-butyl-2-(3-fluorophenyl)-1-phenylbenzene
CID 67893585
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
1,3-dipentylbenzene;fluorobenzene
CID 174957175
CID 159131095
CID 159131095

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene?
The IUPAC name of 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene (CID 173254875) is 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene.
What is the SMILES notation for 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene?
The canonical SMILES for 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene is Fc1cccc(CCCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene?
The InChIKey is ZDFBIZISVAWZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F/c22-21-11-5-8-18(16-21)7-4-6-17-12-14-20(15-13-17)19-9-2-1-3-10-19/h1-3,5,8-16H,4,6-7H2.
What are the key properties of 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene?
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene has a molecular weight of 290.38 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene is sourced from PubChem (CID 173254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).