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

C15H19FO3 — CID 134881308

IUPAC(4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](/C=C(/F)COCc2ccccc2)O1
InChIInChI=1S/C15H19FO3/c1-15(2)18-11-14(19-15)8-13(16)10-17-9-12-6-4-3-5-7-12/h3-8,14H,9-11H2,1-2H3/b13-8+/t14-/m1/s1
InChIKeyBGMWGUUWCUYSPM-MAUPQMMJSA-N
MW266.31 g/mol
LogP3.21
Rot. Bonds5

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

(4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 134881308) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID134881308
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name(4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](/C=C(/F)COCc2ccccc2)O1
InChIInChI=1S/C15H19FO3/c1-15(2)18-11-14(19-15)8-13(16)10-17-9-12-6-4-3-5-7-12/h3-8,14H,9-11H2,1-2H3/b13-8+/t14-/m1/s1
InChIKeyBGMWGUUWCUYSPM-MAUPQMMJSA-N
XLogP3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Benzyl butyl ether
CID 61134
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzene, (1-ethoxyethyl)-
CID 18693
1,3-Dioxolane-4-methanol, 2-phenyl-
CID 15572
(+)-Benzyl glycidyl ether
CID 146296
2-Phenyl-1,3-dioxolane
CID 70293
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (CID 134881308) is (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](/C=C(/F)COCc2ccccc2)O1.
What is the InChIKey of (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is BGMWGUUWCUYSPM-MAUPQMMJSA-N. The full InChI is InChI=1S/C15H19FO3/c1-15(2)18-11-14(19-15)8-13(16)10-17-9-12-6-4-3-5-7-12/h3-8,14H,9-11H2,1-2H3/b13-8+/t14-/m1/s1.
What are the key properties of (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 266.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-fluoro-3-phenylmethoxyprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 134881308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).