(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane

C19H16F6O2 — CID 10644092

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCC1(C)O[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C19H16F6O2/c1-17(2)26-15(11-3-7-13(8-4-11)18(20,21)22)16(27-17)12-5-9-14(10-6-12)19(23,24)25/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyFGUPZGYJYRUGEM-HZPDHXFCSA-N
MW390.32 g/mol
LogP6.29
Rot. Bonds2

About (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 10644092) has the molecular formula C19H16F6O2 and a molecular weight of 390.32 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID10644092
Molecular FormulaC19H16F6O2
Molecular Weight390.32 g/mol
Exact Mass390.11
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCC1(C)O[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C19H16F6O2/c1-17(2)26-15(11-3-7-13(8-4-11)18(20,21)22)16(27-17)12-5-9-14(10-6-12)19(23,24)25/h3-10,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyFGUPZGYJYRUGEM-HZPDHXFCSA-N
XLogP6.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 10644092) is (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane is CC1(C)O[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is FGUPZGYJYRUGEM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H16F6O2/c1-17(2)26-15(11-3-7-13(8-4-11)18(20,21)22)16(27-17)12-5-9-14(10-6-12)19(23,24)25/h3-10,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 390.32 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 10644092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).