(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane

C18H17FO2 — CID 134961370

IUPAC(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
SMILESC=C[C@@H](F)[C@@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H17FO2/c1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16-17H,1,13H2/t16-,17+/m1/s1
InChIKeyGZBGXWUZSBVXFU-SJORKVTESA-N
MW284.33 g/mol
LogP3.83
Rot. Bonds4

About (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane

(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane (PubChem CID 134961370) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
PubChem CID134961370
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
SMILESC=C[C@@H](F)[C@@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C18H17FO2/c1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16-17H,1,13H2/t16-,17+/m1/s1
InChIKeyGZBGXWUZSBVXFU-SJORKVTESA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
Bis(1-phenylethyl) ether
CID 62342
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
2,2-Diphenyltetrahydrofuran
CID 70175
2-Phenyl-1,3-dioxolane
CID 70293
1,1-Dibenzyloxy-2-phenylethane
CID 95980
Sdz 51641
CID 146329
2,4,6-Triphenyl-1,3-dioxane
CID 568919
1,1'-(Dimethoxymethylene)bisbenzene
CID 75228
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
Ethylene Glycol Dibenzyl Ether
CID 222542
Benzoin ethylene ketal
CID 243623

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane (CID 134961370) is (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane is C=C[C@@H](F)[C@@H]1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The InChIKey is GZBGXWUZSBVXFU-SJORKVTESA-N. The full InChI is InChI=1S/C18H17FO2/c1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16-17H,1,13H2/t16-,17+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
(4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane has a molecular weight of 284.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane is sourced from PubChem (CID 134961370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).