CID 59548152

C24H30F2O3 — CID 59548152

IUPAC—
SMILESC[C@]12CC=C3C4=C(CCC3C1CC[C@]21OCCC1=C(F)F)CC1(CC4)OCCO1
InChIInChI=1S/C24H30F2O3/c1-22-8-4-17-16-5-9-23(27-12-13-28-23)14-15(16)2-3-18(17)19(22)6-10-24(22)20(21(25)26)7-11-29-24/h4,18-19H,2-3,5-14H2,1H3/t18?,19?,22-,24+/m0/s1
InChIKeySSYQQJXKVBLEMA-IDMMRLHFSA-N
MW404.50 g/mol
LogP5.68
Rot. Bonds

About CID 59548152

CID 59548152 (PubChem CID 59548152) has the molecular formula C24H30F2O3 and a molecular weight of 404.50 g/mol.

Molecular Properties

Compound NameCID 59548152
PubChem CID59548152
Molecular FormulaC24H30F2O3
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name—
SMILESC[C@]12CC=C3C4=C(CCC3C1CC[C@]21OCCC1=C(F)F)CC1(CC4)OCCO1
InChIInChI=1S/C24H30F2O3/c1-22-8-4-17-16-5-9-23(27-12-13-28-23)14-15(16)2-3-18(17)19(22)6-10-24(22)20(21(25)26)7-11-29-24/h4,18-19H,2-3,5-14H2,1H3/t18?,19?,22-,24+/m0/s1
InChIKeySSYQQJXKVBLEMA-IDMMRLHFSA-N
XLogP5.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59548152?
The IUPAC name of CID 59548152 (CID 59548152) is not available.
What is the SMILES notation for CID 59548152?
The canonical SMILES for CID 59548152 is C[C@]12CC=C3C4=C(CCC3C1CC[C@]21OCCC1=C(F)F)CC1(CC4)OCCO1.
What is the InChIKey of CID 59548152?
The InChIKey is SSYQQJXKVBLEMA-IDMMRLHFSA-N. The full InChI is InChI=1S/C24H30F2O3/c1-22-8-4-17-16-5-9-23(27-12-13-28-23)14-15(16)2-3-18(17)19(22)6-10-24(22)20(21(25)26)7-11-29-24/h4,18-19H,2-3,5-14H2,1H3/t18?,19?,22-,24+/m0/s1.
What are the key properties of CID 59548152?
CID 59548152 has a molecular weight of 404.50 g/mol, XLogP of 5.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59548152 is sourced from PubChem (CID 59548152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).