(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane

C31H28F2O2 — CID 101050003

IUPAC(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](C(F)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H28F2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m1/s1
InChIKeyBQXDWECSCZVMKE-VSGBNLITSA-N
MW470.56 g/mol
LogP7.33
Rot. Bonds6

About (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 101050003) has the molecular formula C31H28F2O2 and a molecular weight of 470.56 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID101050003
Molecular FormulaC31H28F2O2
Molecular Weight470.56 g/mol
Exact Mass470.21
IUPAC Name(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@@H](C(F)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H28F2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m1/s1
InChIKeyBQXDWECSCZVMKE-VSGBNLITSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane (CID 101050003) is (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)O[C@@H](C(F)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is BQXDWECSCZVMKE-VSGBNLITSA-N. The full InChI is InChI=1S/C31H28F2O2/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 470.56 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 101050003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).