(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane

C15H19FO2 — CID 11128728

IUPAC(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane
SMILESC[C@H]1OC(/C(F)=C\CCc2ccccc2)O[C@@H]1C
InChIInChI=1S/C15H19FO2/c1-11-12(2)18-15(17-11)14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-12,15H,6,9H2,1-2H3/b14-10+/t11-,12-/m1/s1
InChIKeyFRFJTVTZOKEPLQ-ZNOAOOIOSA-N
MW250.31 g/mol
LogP3.62
Rot. Bonds4

About (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane

(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane (PubChem CID 11128728) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane
PubChem CID11128728
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane
SMILESC[C@H]1OC(/C(F)=C\CCc2ccccc2)O[C@@H]1C
InChIInChI=1S/C15H19FO2/c1-11-12(2)18-15(17-11)14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-12,15H,6,9H2,1-2H3/b14-10+/t11-,12-/m1/s1
InChIKeyFRFJTVTZOKEPLQ-ZNOAOOIOSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane with MolForge

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Related Compounds

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(3-methyl-6-phenylhex-3-enyl)benzene
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[(E)-4,5-dimethylhex-3-enyl]benzene
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5,5-difluoropent-4-enylbenzene
CID 15268524
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane (CID 11128728) is (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane is C[C@H]1OC(/C(F)=C\CCc2ccccc2)O[C@@H]1C.
What is the InChIKey of (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane?
The InChIKey is FRFJTVTZOKEPLQ-ZNOAOOIOSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-12(2)18-15(17-11)14(16)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,10-12,15H,6,9H2,1-2H3/b14-10+/t11-,12-/m1/s1.
What are the key properties of (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane?
(4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane has a molecular weight of 250.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-[(E)-1-fluoro-4-phenylbut-1-enyl]-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11128728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).