4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene

C28H23F — CID 101447551

IUPAC4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene
SMILESC[C@H](C=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C28H23F/c1-21(25-17-18-26(28(29)20-25)22-11-5-2-6-12-22)19-27(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/t21-/m1/s1
InChIKeyJYMMIZDPXPJSFB-OAQYLSRUSA-N
MW378.49 g/mol
LogP7.73
Rot. Bonds5

About 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene

4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene (PubChem CID 101447551) has the molecular formula C28H23F and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene.

Molecular Properties

Compound Name4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene
PubChem CID101447551
Molecular FormulaC28H23F
Molecular Weight378.49 g/mol
Exact Mass378.18
IUPAC Name4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene
SMILESC[C@H](C=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C28H23F/c1-21(25-17-18-26(28(29)20-25)22-11-5-2-6-12-22)19-27(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/t21-/m1/s1
InChIKeyJYMMIZDPXPJSFB-OAQYLSRUSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
2-chloro-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 163851798
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
3-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]phenol
CID 90036441
5-chloro-2-(3-fluoro-4-phenylphenyl)hexan-3-one
CID 143928439
1-bromopentane;2-(3-fluoro-4-phenylphenyl)propanoic acid
CID 174803768

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene?
The IUPAC name of 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene (CID 101447551) is 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene.
What is the SMILES notation for 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene?
The canonical SMILES for 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene is C[C@H](C=C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene?
The InChIKey is JYMMIZDPXPJSFB-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H23F/c1-21(25-17-18-26(28(29)20-25)22-11-5-2-6-12-22)19-27(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/t21-/m1/s1.
What are the key properties of 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene?
4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene has a molecular weight of 378.49 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4,4-diphenylbut-3-en-2-yl]-2-fluoro-1-phenylbenzene is sourced from PubChem (CID 101447551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).