N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide

C20H20F3NO3 — CID 59492804

IUPACN-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-12(24(3)13(2)25)11-27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3
InChIKeyGENRRAOCHCFNMF-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.71
Rot. Bonds4

About N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide

N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide (PubChem CID 59492804) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide
PubChem CID59492804
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)C(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C20H20F3NO3/c1-12(24(3)13(2)25)11-27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3
InChIKeyGENRRAOCHCFNMF-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-Hexoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492533
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide (CID 59492804) is N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide is CC(=O)N(C)C(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide?
The InChIKey is GENRRAOCHCFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-12(24(3)13(2)25)11-27-14-8-9-16-15-6-4-5-7-17(15)19(26,18(16)10-14)20(21,22)23/h4-10,12,26H,11H2,1-3H3.
What are the key properties of N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide?
N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide has a molecular weight of 379.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 59492804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).