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

C21H22F3NO4 — CID 59492591

IUPACtert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H22F3NO4/c1-19(2,3)29-18(26)25-10-11-28-13-8-9-15-14-6-4-5-7-16(14)20(27,17(15)12-13)21(22,23)24/h4-9,12,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyIQSXQDLVHLTBFO-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.37
Rot. Bonds4

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

tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate (PubChem CID 59492591) has the molecular formula C21H22F3NO4 and a molecular weight of 409.40 g/mol. Its IUPAC name is tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate
PubChem CID59492591
Molecular FormulaC21H22F3NO4
Molecular Weight409.40 g/mol
Exact Mass409.15
IUPAC Nametert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C21H22F3NO4/c1-19(2,3)29-18(26)25-10-11-28-13-8-9-15-14-6-4-5-7-16(14)20(27,17(15)12-13)21(22,23)24/h4-9,12,27H,10-11H2,1-3H3,(H,25,26)
InChIKeyIQSXQDLVHLTBFO-UHFFFAOYSA-N
XLogP4.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyacetamide
CID 59492583
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
5-[[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492699
2-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 59492720
1-(Azetidin-1-yl)-2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethanone
CID 59492759
N-[1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropan-2-yl]-N-methylacetamide
CID 59492804
(5S)-5-[[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxymethyl]pyrrolidin-2-one
CID 59492828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate (CID 59492591) is tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate?
The InChIKey is IQSXQDLVHLTBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO4/c1-19(2,3)29-18(26)25-10-11-28-13-8-9-15-14-6-4-5-7-16(14)20(27,17(15)12-13)21(22,23)24/h4-9,12,27H,10-11H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate?
tert-butyl N-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl]carbamate has a molecular weight of 409.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 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]carbamate is sourced from PubChem (CID 59492591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).