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

C36H34F2O4 — CID 139148658

IUPAC(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
SMILESC=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1.C=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/2C18H17FO2/c2*1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2*2-12,16-17H,1,13H2/t2*16-,17-/m11/s1
InChIKeyDZIHCBCHSCJGKR-OCUCFQOXSA-N
MW568.66 g/mol
LogP7.65
Rot. Bonds8

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

(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane (PubChem CID 139148658) has the molecular formula C36H34F2O4 and a molecular weight of 568.66 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
PubChem CID139148658
Molecular FormulaC36H34F2O4
Molecular Weight568.66 g/mol
Exact Mass568.24
IUPAC Name(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane
SMILESC=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1.C=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/2C18H17FO2/c2*1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2*2-12,16-17H,1,13H2/t2*16-,17-/m11/s1
InChIKeyDZIHCBCHSCJGKR-OCUCFQOXSA-N
XLogP7.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane with MolForge

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Related Compounds

[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
CID 45266333
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium iodide
CID 45266332
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
(1S,2R)-N,N-dibenzyl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-amine
CID 102426126
1-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidine;hydrochloride
CID 157418968
(2R)-2-[[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25178106
(2R)-2-[[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl]piperidin-4-one
CID 25180442
4-(2-isothiocyanato-1-phenylmethoxybut-3-enyl)-2,2-dimethyl-1,3-dioxolane
CID 132577378
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278
(2S,3S)-3-methyl-2-phenyl-2-prop-2-enyloxirane
CID 11367280
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane (CID 139148658) is (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane is C=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1.C=C[C@@H](F)[C@H]1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
The InChIKey is DZIHCBCHSCJGKR-OCUCFQOXSA-N. The full InChI is InChI=1S/2C18H17FO2/c2*1-2-16(19)17-13-20-18(21-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2*2-12,16-17H,1,13H2/t2*16-,17-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane?
(4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane has a molecular weight of 568.66 g/mol, XLogP of 7.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-fluoroprop-2-enyl]-2,2-diphenyl-1,3-dioxolane is sourced from PubChem (CID 139148658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).