Fluorometholone

C₂₂H₂₉FO₄ — CID 9878

About Fluorometholone

Fluorometholone (PubChem CID 9878) has the molecular formula C₂₂H₂₉FO₄ and a molecular weight of 376.47 g/mol. Its IUPAC name is (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: Fluorometholone
• PubChem CID: 9878
• Molecular Formula: C₂₂H₂₉FO₄
• Molecular Weight: 376.47 g/mol
• Exact Mass: 376.20
• IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
• SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
• InChI: InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: FAOZLTXFLGPHNG-KNAQIMQKSA-N
• XLogP: 2.92
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.47
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Fluorometholone?

The IUPAC name of Fluorometholone (CID 9878) is (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Fluorometholone?

The canonical SMILES for Fluorometholone is CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.

What is the InChIKey of Fluorometholone?

The InChIKey is FAOZLTXFLGPHNG-KNAQIMQKSA-N. The full InChI is InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1.

What are the key properties of Fluorometholone?

Fluorometholone has a molecular weight of 376.47 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Fluorometholone is sourced from PubChem (CID 9878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9878 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1208 — approved-drug record (CC BY-SA 4.0)

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