11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

C40H57F10NO3 — CID 10234337

About 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (PubChem CID 10234337) has the molecular formula C40H57F10NO3 and a molecular weight of 789.88 g/mol. Its IUPAC name is 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

• Compound Name: 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
• PubChem CID: 10234337
• Molecular Formula: C40H57F10NO3
• Molecular Weight: 789.88 g/mol
• Exact Mass: 789.42
• IUPAC Name: 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
• SMILES: CN(CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1Cc2cc(OC3CCCCO3)ccc2C2C(F)CC3(C)C(CCC3(C)O)C12
• InChI: InChI=1S/C40H57F10NO3/c1-35-25-31(41)34-29-16-15-28(54-32-14-8-12-22-53-32)24-27(29)23-26(33(34)30(35)17-19-36(35,2)52)13-7-6-11-21-51(3)20-10-5-4-9-18-37(42,43)38(44,45)39(46,47)40(48,49)50/h15-16,24,26,30-34,52H,4-14,17-23,25H2,1-3H3
• InChIKey: UTZVEZFUPRLDHF-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.88
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol?

The IUPAC name of 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (CID 10234337) is 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.

What is the SMILES notation for 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol?

The canonical SMILES for 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol is CN(CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1Cc2cc(OC3CCCCO3)ccc2C2C(F)CC3(C)C(CCC3(C)O)C12.

What is the InChIKey of 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol?

The InChIKey is UTZVEZFUPRLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H57F10NO3/c1-35-25-31(41)34-29-16-15-28(54-32-14-8-12-22-53-32)24-27(29)23-26(33(34)30(35)17-19-36(35,2)52)13-7-6-11-21-51(3)20-10-5-4-9-18-37(42,43)38(44,45)39(46,47)40(48,49)50/h15-16,24,26,30-34,52H,4-14,17-23,25H2,1-3H3.

What are the key properties of 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol?

11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol has a molecular weight of 789.88 g/mol, XLogP of 11.28, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-fluoro-13,17-dimethyl-7-[5-[methyl(7,7,8,8,9,9,10,10,10-nonafluorodecyl)amino]pentyl]-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 10234337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).