(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane

C24H22F2O2 — CID 25265950

IUPAC(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane
SMILESC=C1CO[C@H](c2ccc(F)cc2)C(=C)C(=C)CO[C@@H](c2ccc(F)cc2)C1=C
InChIInChI=1S/C24H22F2O2/c1-15-13-27-24(20-7-11-22(26)12-8-20)18(4)16(2)14-28-23(17(15)3)19-5-9-21(25)10-6-19/h5-12,23-24H,1-4,13-14H2/t23-,24+
InChIKeyGVJUAQBJBINRFG-PSWAGMNNSA-N
MW380.43 g/mol
LogP6.02
Rot. Bonds2

About (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane

(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane (PubChem CID 25265950) has the molecular formula C24H22F2O2 and a molecular weight of 380.43 g/mol. Its IUPAC name is (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane.

Molecular Properties

Compound Name(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane
PubChem CID25265950
Molecular FormulaC24H22F2O2
Molecular Weight380.43 g/mol
Exact Mass380.16
IUPAC Name(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane
SMILESC=C1CO[C@H](c2ccc(F)cc2)C(=C)C(=C)CO[C@@H](c2ccc(F)cc2)C1=C
InChIInChI=1S/C24H22F2O2/c1-15-13-27-24(20-7-11-22(26)12-8-20)18(4)16(2)14-28-23(17(15)3)19-5-9-21(25)10-6-19/h5-12,23-24H,1-4,13-14H2/t23-,24+
InChIKeyGVJUAQBJBINRFG-PSWAGMNNSA-N
XLogP6.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane?
The IUPAC name of (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane (CID 25265950) is (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane.
What is the SMILES notation for (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane?
The canonical SMILES for (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane is C=C1CO[C@H](c2ccc(F)cc2)C(=C)C(=C)CO[C@@H](c2ccc(F)cc2)C1=C.
What is the InChIKey of (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane?
The InChIKey is GVJUAQBJBINRFG-PSWAGMNNSA-N. The full InChI is InChI=1S/C24H22F2O2/c1-15-13-27-24(20-7-11-22(26)12-8-20)18(4)16(2)14-28-23(17(15)3)19-5-9-21(25)10-6-19/h5-12,23-24H,1-4,13-14H2/t23-,24+.
What are the key properties of (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane?
(2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane has a molecular weight of 380.43 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-2,7-bis(4-fluorophenyl)-3,4,8,9-tetramethylidene-1,6-dioxecane is sourced from PubChem (CID 25265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).