tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

C14H18FNO3 — CID 164603349

IUPACtert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-10(17)7-8-5-4-6-9(15)11(8)12/h4-6,10,12,17H,7H2,1-3H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyIKQNKYWAFMVYJY-JQWIXIFHSA-N
MW267.30 g/mol
LogP2.31
Rot. Bonds1

About tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 164603349) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID164603349
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1O
InChIInChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-10(17)7-8-5-4-6-9(15)11(8)12/h4-6,10,12,17H,7H2,1-3H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyIKQNKYWAFMVYJY-JQWIXIFHSA-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

Analyze tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
rac-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11030622
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 22874977
tert-butyl N-((1S)-1-(3-fluorophenyl)-2-hydroxyethyl)carbamate
CID 66763747
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
tert-Butyl (2-hydroxy-1-phenylethyl)carbamate
CID 5050210
(S)-2-((N-tert-Butoxycarbonyl)amino)-2-phenylethanol
CID 7016462
tert-butyl N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11021276
tert-Butyl ((1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 17998891

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate (CID 164603349) is tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1c2c(F)cccc2C[C@@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is IKQNKYWAFMVYJY-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-14(2,3)19-13(18)16-12-10(17)7-8-5-4-6-9(15)11(8)12/h4-6,10,12,17H,7H2,1-3H3,(H,16,18)/t10-,12-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-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-[(1R,2S)-7-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 164603349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).