1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene

C20H17F — CID 174588625

IUPAC1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
SMILESFc1cccc(CCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H17F/c21-20-8-4-5-17(15-20)10-9-16-11-13-19(14-12-16)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2
InChIKeyLOEABCFQGXCDHU-UHFFFAOYSA-N
MW276.35 g/mol
LogP5.28
Rot. Bonds4

About 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene

1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene (PubChem CID 174588625) has the molecular formula C20H17F and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
PubChem CID174588625
Molecular FormulaC20H17F
Molecular Weight276.35 g/mol
Exact Mass276.13
IUPAC Name1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene
SMILESFc1cccc(CCc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C20H17F/c21-20-8-4-5-17(15-20)10-9-16-11-13-19(14-12-16)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2
InChIKeyLOEABCFQGXCDHU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
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
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
benzene;2-phenylethylbenzene
CID 18982764
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene?
The IUPAC name of 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene (CID 174588625) is 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene.
What is the SMILES notation for 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene?
The canonical SMILES for 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene is Fc1cccc(CCc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene?
The InChIKey is LOEABCFQGXCDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F/c21-20-8-4-5-17(15-20)10-9-16-11-13-19(14-12-16)18-6-2-1-3-7-18/h1-8,11-15H,9-10H2.
What are the key properties of 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene?
1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene has a molecular weight of 276.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(4-phenylphenyl)ethyl]benzene is sourced from PubChem (CID 174588625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).