tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate

C14H18FNO3 — CID 86607841

IUPACtert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2c(F)cccc2C1O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11-7-9-8(12(11)17)5-4-6-10(9)15/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyNNLKYECYYOKMOR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.31
Rot. Bonds1

About tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate

tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 86607841) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID86607841
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2c(F)cccc2C1O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11-7-9-8(12(11)17)5-4-6-10(9)15/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyNNLKYECYYOKMOR-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate (CID 86607841) is tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2c(F)cccc2C1O.
What is the InChIKey of tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is NNLKYECYYOKMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-11-7-9-8(12(11)17)5-4-6-10(9)15/h4-6,11-12,17H,7H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate?
tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 267.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 86607841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).