1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene

C16H15F — CID 177383855

IUPAC1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
SMILESC[C@H](/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15F/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3/b8-7+/t13-/m1/s1
InChIKeyWANHMODXIZRMOV-SBDDDAINSA-N
MW226.29 g/mol
LogP4.64
Rot. Bonds3

About 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene

1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene (PubChem CID 177383855) has the molecular formula C16H15F and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
PubChem CID177383855
Molecular FormulaC16H15F
Molecular Weight226.29 g/mol
Exact Mass226.12
IUPAC Name1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene
SMILESC[C@H](/C=C/c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15F/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3/b8-7+/t13-/m1/s1
InChIKeyWANHMODXIZRMOV-SBDDDAINSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
1-bromo-4-(3-phenylbut-1-enyl)benzene
CID 162347455
1-phenyl-4-[(E)-3-(4-phenylphenyl)but-1-enyl]benzene
CID 102073243
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
1-methyl-4-[(E,2R)-4-phenylbut-3-en-2-yl]benzene
CID 102584248
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
5-[(E)-4-(4-fluorophenyl)but-3-en-2-yl]-1,3-benzodioxole
CID 141413659
N'-[(E,1R)-3-(4-fluorophenyl)-1-phenylprop-2-enyl]acetohydrazide
CID 177394133
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
1-ethyl-4-[3-(4-ethylphenyl)but-1-enyl]benzene
CID 139679614

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene (CID 177383855) is 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene is C[C@H](/C=C/c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene?
The InChIKey is WANHMODXIZRMOV-SBDDDAINSA-N. The full InChI is InChI=1S/C16H15F/c1-13(15-5-3-2-4-6-15)7-8-14-9-11-16(17)12-10-14/h2-13H,1H3/b8-7+/t13-/m1/s1.
What are the key properties of 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene?
1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene has a molecular weight of 226.29 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E,3R)-3-phenylbut-1-enyl]benzene is sourced from PubChem (CID 177383855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).