tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate

C22H24F3NO4 — CID 59492476

IUPACtert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C
InChIInChI=1S/C22H24F3NO4/c1-20(2,3)30-19(27)26(4)11-12-29-14-9-10-16-15-7-5-6-8-17(15)21(28,18(16)13-14)22(23,24)25/h5-10,13,28H,11-12H2,1-4H3
InChIKeyOAPFLAAKJKGOTJ-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.71
Rot. Bonds4

About tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate (PubChem CID 59492476) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
PubChem CID59492476
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Nametert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C
InChIInChI=1S/C22H24F3NO4/c1-20(2,3)30-19(27)26(4)11-12-29-14-9-10-16-15-7-5-6-8-17(15)21(28,18(16)13-14)22(23,24)25/h5-10,13,28H,11-12H2,1-4H3
InChIKeyOAPFLAAKJKGOTJ-UHFFFAOYSA-N
XLogP4.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-ol
CID 21552322
2-(4-Hydroxybutoxy)-9-(trifluoromethyl)fluoren-9-ol
CID 59492658
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
5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-N,N-dimethylpentanamide
CID 59492588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate (CID 59492476) is tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate is CN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate?
The InChIKey is OAPFLAAKJKGOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-20(2,3)30-19(27)26(4)11-12-29-14-9-10-16-15-7-5-6-8-17(15)21(28,18(16)13-14)22(23,24)25/h5-10,13,28H,11-12H2,1-4H3.
What are the key properties of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate?
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate has a molecular weight of 423.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]-N-methylcarbamate is sourced from PubChem (CID 59492476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).