N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

C20H20F3NO5 — CID 59492663

IUPACN,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N(CCO)CCO
InChIInChI=1S/C20H20F3NO5/c21-20(22,23)19(28)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)29-12-18(27)24(7-9-25)8-10-26/h1-6,11,25-26,28H,7-10,12H2
InChIKeyINIMJFJXMITKPX-UHFFFAOYSA-N
MW411.38 g/mol
LogP1.66
Rot. Bonds7

About N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide

N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (PubChem CID 59492663) has the molecular formula C20H20F3NO5 and a molecular weight of 411.38 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
PubChem CID59492663
Molecular FormulaC20H20F3NO5
Molecular Weight411.38 g/mol
Exact Mass411.13
IUPAC NameN,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
SMILESO=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N(CCO)CCO
InChIInChI=1S/C20H20F3NO5/c21-20(22,23)19(28)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)29-12-18(27)24(7-9-25)8-10-26/h1-6,11,25-26,28H,7-10,12H2
InChIKeyINIMJFJXMITKPX-UHFFFAOYSA-N
XLogP1.66
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-ol
CID 21552322
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
3-[2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-1,3-oxazinan-2-one
CID 59492478
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
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]-1-methylpyrrolidin-2-one
CID 59492559
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpropanamide
CID 59492562
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide (CID 59492663) is N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is O=C(COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
The InChIKey is INIMJFJXMITKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO5/c21-20(22,23)19(28)16-4-2-1-3-14(16)15-6-5-13(11-17(15)19)29-12-18(27)24(7-9-25)8-10-26/h1-6,11,25-26,28H,7-10,12H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide?
N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide has a molecular weight of 411.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide is sourced from PubChem (CID 59492663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).