tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate

C16H22FNO3 — CID 162747065

IUPACtert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-14-12-7-5-4-6-11(12)10-13(14)20-9-8-17/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyNIPRQASTALUQHJ-KBPBESRZSA-N
MW295.35 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 162747065) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID162747065
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1OCCF
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-14-12-7-5-4-6-11(12)10-13(14)20-9-8-17/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyNIPRQASTALUQHJ-KBPBESRZSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 162747065) is tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1OCCF.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is NIPRQASTALUQHJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-14-12-7-5-4-6-11(12)10-13(14)20-9-8-17/h4-7,13-14H,8-10H2,1-3H3,(H,18,19)/t13-,14-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 295.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 162747065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).