3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one

C20H18F3NO4 — CID 59492478

IUPAC3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-5-2-1-4-14(16)15-7-6-13(12-17(15)19)27-11-9-24-8-3-10-28-18(24)25/h1-2,4-7,12,26H,3,8-11H2
InChIKeyXDMBKJHAGIZKHE-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.69
Rot. Bonds4

About 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one

3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one (PubChem CID 59492478) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
PubChem CID59492478
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-5-2-1-4-14(16)15-7-6-13(12-17(15)19)27-11-9-24-8-3-10-28-18(24)25/h1-2,4-7,12,26H,3,8-11H2
InChIKeyXDMBKJHAGIZKHE-UHFFFAOYSA-N
XLogP3.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Piperidin-1-yl-ethoxy)-9H-fluoren-9-ol
CID 44322589
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
CID 59492476
1-(2-Hydroxyethyl)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492513
2-[3-(Dimethylamino)propoxy]-9-(trifluoromethyl)fluoren-9-ol
CID 59492528
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 59492540
1-[2-[9-Hydroxy-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]pyrrolidin-2-one
CID 59492553
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate
CID 59492591
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492596
N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylacetamide
CID 59492614
2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylacetamide
CID 59492675
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylbutanamide
CID 59492684

Frequently Asked Questions

What is the IUPAC name of 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one (CID 59492478) is 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one is O=C1OCCCN1CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one?
The InChIKey is XDMBKJHAGIZKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c21-20(22,23)19(26)16-5-2-1-4-14(16)15-7-6-13(12-17(15)19)27-11-9-24-8-3-10-28-18(24)25/h1-2,4-7,12,26H,3,8-11H2.
What are the key properties of 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one?
3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one has a molecular weight of 393.36 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 59492478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).