[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone

C19H16F3NO2 — CID 59492856

IUPAC[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(24)23-9-3-4-10-23/h1-2,5-8,11,25H,3-4,9-10H2
InChIKeyQSPJBNPNPUUZNP-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.70
Rot. Bonds1

About [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone

[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59492856) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID59492856
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(24)23-9-3-4-10-23/h1-2,5-8,11,25H,3-4,9-10H2
InChIKeyQSPJBNPNPUUZNP-UHFFFAOYSA-N
XLogP3.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone (CID 59492856) is [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CCCC1.
What is the InChIKey of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QSPJBNPNPUUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)18(25)15-6-2-1-5-13(15)14-8-7-12(11-16(14)18)17(24)23-9-3-4-10-23/h1-2,5-8,11,25H,3-4,9-10H2.
What are the key properties of [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone?
[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 347.34 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59492856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).