[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

C19H16F3NO3 — CID 59492850

IUPAC[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-12(7-16(14)18)17(25)23-8-11(9-23)10-24/h1-7,11,24,26H,8-10H2
InChIKeyJSYKEHXHVCQXML-UHFFFAOYSA-N
MW363.33 g/mol
LogP2.53
Rot. Bonds2

About [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone

[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (PubChem CID 59492850) has the molecular formula C19H16F3NO3 and a molecular weight of 363.33 g/mol. Its IUPAC name is [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
PubChem CID59492850
Molecular FormulaC19H16F3NO3
Molecular Weight363.33 g/mol
Exact Mass363.11
IUPAC Name[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone
SMILESO=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1
InChIInChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-12(7-16(14)18)17(25)23-8-11(9-23)10-24/h1-7,11,24,26H,8-10H2
InChIKeyJSYKEHXHVCQXML-UHFFFAOYSA-N
XLogP2.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone (CID 59492850) is [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is O=C(c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N1CC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
The InChIKey is JSYKEHXHVCQXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-19(21,22)18(26)15-4-2-1-3-13(15)14-6-5-12(7-16(14)18)17(25)23-8-11(9-23)10-24/h1-7,11,24,26H,8-10H2.
What are the key properties of [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone?
[3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone has a molecular weight of 363.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)azetidin-1-yl]-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]methanone is sourced from PubChem (CID 59492850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).